2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide

C21H25NO — CID 4556080

IUPAC2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(c2ccccc2)C2CCCC2)cc1C
InChIInChI=1S/C21H25NO/c1-15-12-13-19(14-16(15)2)22-21(23)20(18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,12-14,18,20H,6-7,10-11H2,1-2H3,(H,22,23)
InChIKeyRSBSSBOAAHTLOZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.22
Rot. Bonds4

About 2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide

2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide (PubChem CID 4556080) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
PubChem CID4556080
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(c2ccccc2)C2CCCC2)cc1C
InChIInChI=1S/C21H25NO/c1-15-12-13-19(14-16(15)2)22-21(23)20(18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,12-14,18,20H,6-7,10-11H2,1-2H3,(H,22,23)
InChIKeyRSBSSBOAAHTLOZ-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-cyclopropyl-N-(2-methyl-4-pyridinyl)-2-phenylacetamide
CID 110675345
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide
CID 2796967
(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 1036687
2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide
CID 22421737
(2R)-2-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylacetamide
CID 95989343
(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide
CID 1213715
(2S)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 118091164
[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] cyclohexanecarboxylate
CID 3428865
2-cyclopropyl-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 110420849
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010
N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide
CID 134567027

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide (CID 4556080) is 2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide is Cc1ccc(NC(=O)C(c2ccccc2)C2CCCC2)cc1C.
What is the InChIKey of 2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide?
The InChIKey is RSBSSBOAAHTLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-15-12-13-19(14-16(15)2)22-21(23)20(18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,12-14,18,20H,6-7,10-11H2,1-2H3,(H,22,23).
What are the key properties of 2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide?
2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide has a molecular weight of 307.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide is sourced from PubChem (CID 4556080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).