3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide

C20H24N2O2 — CID 119696247

IUPAC3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(N)C2)cc1Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-9-18(22-20(23)15-7-8-17(21)12-15)13-16(19)11-14-5-3-2-4-6-14/h2-6,9-10,13,15,17H,7-8,11-12,21H2,1H3,(H,22,23)
InChIKeyWJSVKHNOSRZPCT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.35
Rot. Bonds5

About 3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide

3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 119696247) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID119696247
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(N)C2)cc1Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-9-18(22-20(23)15-7-8-17(21)12-15)13-16(19)11-14-5-3-2-4-6-14/h2-6,9-10,13,15,17H,7-8,11-12,21H2,1H3,(H,22,23)
InChIKeyWJSVKHNOSRZPCT-UHFFFAOYSA-N
XLogP3.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
CID 119798242
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55759678
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide
CID 119679316
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
CID 119274895

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide (CID 119696247) is 3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2CCC(N)C2)cc1Cc1ccccc1.
What is the InChIKey of 3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is WJSVKHNOSRZPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-10-9-18(22-20(23)15-7-8-17(21)12-15)13-16(19)11-14-5-3-2-4-6-14/h2-6,9-10,13,15,17H,7-8,11-12,21H2,1H3,(H,22,23).
What are the key properties of 3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide?
3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119696247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).