N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide

C19H22N2O2 — CID 119420158

IUPACN-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1N
InChIInChI=1S/C19H22N2O2/c1-23-17-10-9-15(13-16(17)20)21-18(22)19(11-5-6-12-19)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12,20H2,1H3,(H,21,22)
InChIKeyBXTYOPYHLZYFNT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.73
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide

N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 119420158) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID119420158
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1N
InChIInChI=1S/C19H22N2O2/c1-23-17-10-9-15(13-16(17)20)21-18(22)19(11-5-6-12-19)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12,20H2,1H3,(H,21,22)
InChIKeyBXTYOPYHLZYFNT-UHFFFAOYSA-N
XLogP3.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119420007
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 32520661
N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 119419519
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride
CID 119420360
N-[2-methoxy-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]cyclohexanecarboxamide
CID 172686489
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573
1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119418958

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide (CID 119420158) is N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide is COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is BXTYOPYHLZYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-17-10-9-15(13-16(17)20)21-18(22)19(11-5-6-12-19)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12,20H2,1H3,(H,21,22).
What are the key properties of N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide?
N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 119420158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).