3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide

C21H26N2O — CID 119675945

IUPAC3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c22-20-12-11-19(15-20)21(24)23(16-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-10,19-20H,11-16,22H2
InChIKeyNDWZZXPZAGLIPW-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.39
Rot. Bonds6

About 3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide

3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide (PubChem CID 119675945) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
PubChem CID119675945
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c22-20-12-11-19(15-20)21(24)23(16-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-10,19-20H,11-16,22H2
InChIKeyNDWZZXPZAGLIPW-UHFFFAOYSA-N
XLogP3.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119691845
3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
CID 119033370
cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
CID 100645426
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
CID 119752506
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
CID 119696818
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595
trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 97248670
N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
CID 112791258
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
cis-(1R,3S)-3-amino-N-[(4-chlorophenyl)methyl]-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 133130182
3-amino-N-(oxolan-3-yl)-N-(2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119820576

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide (CID 119675945) is 3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of 3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide?
The InChIKey is NDWZZXPZAGLIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c22-20-12-11-19(15-20)21(24)23(16-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-10,19-20H,11-16,22H2.
What are the key properties of 3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide?
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119675945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).