N-(3-acetylphenyl)-3-cyclopentylpropanamide

C16H21NO2 — CID 844337

IUPACN-(3-acetylphenyl)-3-cyclopentylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C16H21NO2/c1-12(18)14-7-4-8-15(11-14)17-16(19)10-9-13-5-2-3-6-13/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,17,19)
InChIKeyPAUYTWLSCLCCAE-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.80
Rot. Bonds5

About N-(3-acetylphenyl)-3-cyclopentylpropanamide

N-(3-acetylphenyl)-3-cyclopentylpropanamide (PubChem CID 844337) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-cyclopentylpropanamide
PubChem CID844337
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-(3-acetylphenyl)-3-cyclopentylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C16H21NO2/c1-12(18)14-7-4-8-15(11-14)17-16(19)10-9-13-5-2-3-6-13/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,17,19)
InChIKeyPAUYTWLSCLCCAE-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4'-Methylbenzanilide
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Aurachin D
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2-Undecyl-4(1H)-quinolone
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Cpi 1189
CID 151118
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3-Aminobenzanilide
CID 84347
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CID 32487

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-cyclopentylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-cyclopentylpropanamide (CID 844337) is N-(3-acetylphenyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-cyclopentylpropanamide is CC(=O)c1cccc(NC(=O)CCC2CCCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-cyclopentylpropanamide?
The InChIKey is PAUYTWLSCLCCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(18)14-7-4-8-15(11-14)17-16(19)10-9-13-5-2-3-6-13/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,17,19).
What are the key properties of N-(3-acetylphenyl)-3-cyclopentylpropanamide?
N-(3-acetylphenyl)-3-cyclopentylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 844337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).