Amelubant
ethyl N-[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidoyl]carbamate
Molecular Identity
Amelubant
ethyl N-[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidoyl]carbamate
PubChem CID: 135564996
2D Structure
Properties
C33H34N2O5
Molecular Formula
538.60
Molecular Weight
g/mol
538.2468
Exact Mass
Da
7.2
XLogP
Above Lipinski threshold
101
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
780
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)NC(=N)C1=CC=C(C=C1)OCC2=CC(=CC=C2)COC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)OIsomeric SMILES
SMILES: CCOC(=O)NC(=N)C1=CC=C(C=C1)OCC2=CC(=CC=C2)COC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)OSynonyms(20)
Amelubant346735-24-8BIIL-284BIIL 284E0018IF0K4BIIL-284BSBIIL284 BSBIIL 284 BSBIIL-284 BSLS-49968amelubantumethyl (NZ)-N-(amino-(4-((3-((4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)methyl)phenyl)methoxy)phenyl)methylidene)carbamateethyl (NZ)-N-[amino-[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylidene]carbamateethyl N-(4-((3-((4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)methyl)phenyl)methoxy)benzenecarboximidoyl)carbamateethyl N-[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidoyl]carbamate
Data from PubChem (NCBI)
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Drug Network
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