N 111
1-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-tert-butylurea
Molecular Identity
N 111
1-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-tert-butylurea
PubChem CID: 21122811
2D Structure
Properties
C20H33N3O4
Molecular Formula
379.50
Molecular Weight
g/mol
379.2471
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
99.7
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
496
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)C1=C(C=CC(=C1)NC(=O)NC(C)(C)C)OCC(CNC(C)(C)C)OIsomeric SMILES
SMILES: CC(=O)C1=C(C=CC(=C1)NC(=O)NC(C)(C)C)OCC(CNC(C)(C)C)OSynonyms(20)
57471-01-9UNII-97WKI06KTXN-11197WKI06KTXCCRIS 4208BRN 2773085N 1113-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-tert-butylureaUrea, N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N'-(1,1-dimethylethyl)-3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-(tert-butyl)ureaUREA, N-(3-ACETYL-4-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)PHENYL)-N'-(1,1-DIMETHYLETHYL)-3-[3-ACETYL-4-[3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY]PHENYL]-1-(TERT-BUTYL)UREARefChem:201873N-Didesethyl, N-tertbutyl Celiprolol1-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-tert-butylurea
Data from PubChem (NCBI)
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