N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide

C21H25NO2 — CID 21335633

IUPACN-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
SMILESCC(=O)CCCc1ccc(NC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-17(23)7-5-10-19-13-15-20(16-14-19)22-21(24)12-6-11-18-8-3-2-4-9-18/h2-4,8-9,13-16H,5-7,10-12H2,1H3,(H,22,24)
InChIKeyBIJHRVJQVIDDDY-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.56
Rot. Bonds9

About N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide

N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide (PubChem CID 21335633) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
PubChem CID21335633
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
SMILESCC(=O)CCCc1ccc(NC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-17(23)7-5-10-19-13-15-20(16-14-19)22-21(24)12-6-11-18-8-3-2-4-9-18/h2-4,8-9,13-16H,5-7,10-12H2,1H3,(H,22,24)
InChIKeyBIJHRVJQVIDDDY-UHFFFAOYSA-N
XLogP4.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
5-phenylpentan-2-one
CID 16701
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
4-(4-aminophenyl)-N-phenylbutanamide
CID 19353885
3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
CID 119315336
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide
CID 121062141
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713
2-hydroxy-N-[4-(4-oxopentyl)phenyl]benzamide
CID 22944662
3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide
CID 71583388
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide?
The IUPAC name of N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide (CID 21335633) is N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide is CC(=O)CCCc1ccc(NC(=O)CCCc2ccccc2)cc1.
What is the InChIKey of N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide?
The InChIKey is BIJHRVJQVIDDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-17(23)7-5-10-19-13-15-20(16-14-19)22-21(24)12-6-11-18-8-3-2-4-9-18/h2-4,8-9,13-16H,5-7,10-12H2,1H3,(H,22,24).
What are the key properties of N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide?
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide has a molecular weight of 323.44 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 21335633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).