N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide

C15H22N2O2 — CID 171262963

IUPACN-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](N)[C@@H](O)C2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-10(18)17-13-8-6-11(7-9-13)14(16)15(19)12-4-2-3-5-12/h6-9,12,14-15,19H,2-5,16H2,1H3,(H,17,18)/t14-,15+/m1/s1
InChIKeyKWSMBOAFKJALJO-CABCVRRESA-N
MW262.35 g/mol
LogP2.20
Rot. Bonds4

About N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide

N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide (PubChem CID 171262963) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
PubChem CID171262963
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](N)[C@@H](O)C2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-10(18)17-13-8-6-11(7-9-13)14(16)15(19)12-4-2-3-5-12/h6-9,12,14-15,19H,2-5,16H2,1H3,(H,17,18)/t14-,15+/m1/s1
InChIKeyKWSMBOAFKJALJO-CABCVRRESA-N
XLogP2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide
CID 171268634
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
CID 171162507
(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
CID 171162391
4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]benzoic acid
CID 171266509
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
CID 171268646
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
CID 171206638
N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide
CID 60997333
N-[4-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide (CID 171262963) is N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide is CC(=O)Nc1ccc([C@@H](N)[C@@H](O)C2CCCC2)cc1.
What is the InChIKey of N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide?
The InChIKey is KWSMBOAFKJALJO-CABCVRRESA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(18)17-13-8-6-11(7-9-13)14(16)15(19)12-4-2-3-5-12/h6-9,12,14-15,19H,2-5,16H2,1H3,(H,17,18)/t14-,15+/m1/s1.
What are the key properties of N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide?
N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide is sourced from PubChem (CID 171262963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).