1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide

C15H22N2O2 — CID 54874342

IUPAC1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)C1(N)CCCC1
InChIInChI=1S/C15H22N2O2/c1-11(12-7-3-4-8-13(12)18)17(2)14(19)15(16)9-5-6-10-15/h3-4,7-8,11,18H,5-6,9-10,16H2,1-2H3
InChIKeyQOQJXBPTPUZSNU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.18
Rot. Bonds3

About 1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide

1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 54874342) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide
PubChem CID54874342
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)C1(N)CCCC1
InChIInChI=1S/C15H22N2O2/c1-11(12-7-3-4-8-13(12)18)17(2)14(19)15(16)9-5-6-10-15/h3-4,7-8,11,18H,5-6,9-10,16H2,1-2H3
InChIKeyQOQJXBPTPUZSNU-UHFFFAOYSA-N
XLogP2.18
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81172128
N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 106827698
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 112725664
1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173083
(2R)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929396
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 76894927
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
3-[1-(2-hydroxyphenyl)ethyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836748
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119261831
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 65463841
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpentanamide
CID 104684604

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide (CID 54874342) is 1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide is CC(c1ccccc1O)N(C)C(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is QOQJXBPTPUZSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(12-7-3-4-8-13(12)18)17(2)14(19)15(16)9-5-6-10-15/h3-4,7-8,11,18H,5-6,9-10,16H2,1-2H3.
What are the key properties of 1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 54874342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).