N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C16H20N2O3 — CID 63762447

IUPACN-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C16H20N2O3/c1-10(19)11-2-4-12(5-3-11)17-16(21)18-13-6-7-14(18)9-15(20)8-13/h2-5,13-15,20H,6-9H2,1H3,(H,17,21)
InChIKeyPFIIUTCCYMMCFF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.41
Rot. Bonds2

About N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 63762447) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID63762447
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C16H20N2O3/c1-10(19)11-2-4-12(5-3-11)17-16(21)18-13-6-7-14(18)9-15(20)8-13/h2-5,13-15,20H,6-9H2,1H3,(H,17,21)
InChIKeyPFIIUTCCYMMCFF-UHFFFAOYSA-N
XLogP2.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63764022
(1S,6R)-N-(4-acetylphenyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 50974392
N-(3-chloro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63763329
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone
CID 55237037
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 78955075
4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61191051
N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 90616117
3-acetamido-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218280
N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane
CID 176941389
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650
N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109653

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 63762447) is N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is CC(=O)c1ccc(NC(=O)N2C3CCC2CC(O)C3)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is PFIIUTCCYMMCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(19)11-2-4-12(5-3-11)17-16(21)18-13-6-7-14(18)9-15(20)8-13/h2-5,13-15,20H,6-9H2,1H3,(H,17,21).
What are the key properties of N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 63762447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).