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

C14H20N2O2 — CID 171268634

IUPACN-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H](N)[C@H](O)C2CCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-9(17)16-12-7-5-10(6-8-12)13(15)14(18)11-3-2-4-11/h5-8,11,13-14,18H,2-4,15H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyWSLDHNVRXWKVKA-UONOGXRCSA-N
MW248.33 g/mol
LogP1.81
Rot. Bonds4

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

N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide (PubChem CID 171268634) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide
PubChem CID171268634
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H](N)[C@H](O)C2CCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-9(17)16-12-7-5-10(6-8-12)13(15)14(18)11-3-2-4-11/h5-8,11,13-14,18H,2-4,15H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyWSLDHNVRXWKVKA-UONOGXRCSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
CID 171262963
(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
CID 171162391
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
CID 171268646
(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
CID 171162507
N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide
CID 82216315
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1R,2S)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171266933
(1S,2R)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171261250
N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
CID 171206638
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
N-[4-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide (CID 171268634) is N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide is CC(=O)Nc1ccc([C@H](N)[C@H](O)C2CCC2)cc1.
What is the InChIKey of N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide?
The InChIKey is WSLDHNVRXWKVKA-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(17)16-12-7-5-10(6-8-12)13(15)14(18)11-3-2-4-11/h5-8,11,13-14,18H,2-4,15H2,1H3,(H,16,17)/t13-,14+/m0/s1.
What are the key properties of N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide?
N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide is sourced from PubChem (CID 171268634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).