N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide

C18H19NO2 — CID 33278184

IUPACN-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide
SMILESCc1cccc(CNC(=O)CCC(=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO2/c1-14-6-5-7-15(12-14)13-19-18(21)11-10-17(20)16-8-3-2-4-9-16/h2-9,12H,10-11,13H2,1H3,(H,19,21)
InChIKeySJXPXYAOSCFVAL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.27
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide

N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide (PubChem CID 33278184) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide
PubChem CID33278184
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide
SMILESCc1cccc(CNC(=O)CCC(=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO2/c1-14-6-5-7-15(12-14)13-19-18(21)11-10-17(20)16-8-3-2-4-9-16/h2-9,12H,10-11,13H2,1H3,(H,19,21)
InChIKeySJXPXYAOSCFVAL-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzoic acid
CID 108745441
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-[(3-methylphenyl)methyl]-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoic acid
CID 119242760
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide (CID 33278184) is N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide is Cc1cccc(CNC(=O)CCC(=O)c2ccccc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide?
The InChIKey is SJXPXYAOSCFVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14-6-5-7-15(12-14)13-19-18(21)11-10-17(20)16-8-3-2-4-9-16/h2-9,12H,10-11,13H2,1H3,(H,19,21).
What are the key properties of N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide?
N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 281.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 33278184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).