N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide

C21H21NO3 — CID 110425861

IUPACN-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)Nc1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C21H21NO3/c23-19(15-5-2-1-3-6-15)7-4-8-20(24)22-18-13-11-17(12-14-18)21(25)16-9-10-16/h1-3,5-6,11-14,16H,4,7-10H2,(H,22,24)
InChIKeyOVIYFIKCQZBRNV-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.27
Rot. Bonds8

About N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide

N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide (PubChem CID 110425861) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide
PubChem CID110425861
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)Nc1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C21H21NO3/c23-19(15-5-2-1-3-6-15)7-4-8-20(24)22-18-13-11-17(12-14-18)21(25)16-9-10-16/h1-3,5-6,11-14,16H,4,7-10H2,(H,22,24)
InChIKeyOVIYFIKCQZBRNV-UHFFFAOYSA-N
XLogP4.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid
CID 108796240
3-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]propanoic acid
CID 108807616
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
N-(4-acetylphenyl)-3-(4-benzoylpiperidin-1-yl)propanamide
CID 33215029
4-oxo-N,4-diphenylbutanamide
CID 825307
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
5-oxo-5-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 110353707
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide?
The IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide (CID 110425861) is N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide is O=C(CCCC(=O)c1ccccc1)Nc1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide?
The InChIKey is OVIYFIKCQZBRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-19(15-5-2-1-3-6-15)7-4-8-20(24)22-18-13-11-17(12-14-18)21(25)16-9-10-16/h1-3,5-6,11-14,16H,4,7-10H2,(H,22,24).
What are the key properties of N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide?
N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide has a molecular weight of 335.40 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 110425861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).