1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide

C21H25NO2 — CID 976659

IUPAC1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCc3ccccc3)CCCC2)cc1
InChIInChI=1S/C21H25NO2/c1-24-19-11-9-18(10-12-19)21(14-5-6-15-21)20(23)22-16-13-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-16H2,1H3,(H,22,23)
InChIKeyCNJVSBUCORVTHU-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.87
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide

1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide (PubChem CID 976659) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide
PubChem CID976659
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCc3ccccc3)CCCC2)cc1
InChIInChI=1S/C21H25NO2/c1-24-19-11-9-18(10-12-19)21(14-5-6-15-21)20(23)22-16-13-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-16H2,1H3,(H,22,23)
InChIKeyCNJVSBUCORVTHU-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide (CID 976659) is 1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)NCCc3ccccc3)CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide?
The InChIKey is CNJVSBUCORVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-24-19-11-9-18(10-12-19)21(14-5-6-15-21)20(23)22-16-13-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-16H2,1H3,(H,22,23).
What are the key properties of 1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide?
1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 976659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).