N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide

C24H24N2O2 — CID 108745056

IUPACN-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide
SMILESCc1ccc(Nc2ccccc2NC(=O)CCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-18-14-16-20(17-15-18)25-21-10-5-6-11-22(21)26-24(28)13-7-12-23(27)19-8-3-2-4-9-19/h2-6,8-11,14-17,25H,7,12-13H2,1H3,(H,26,28)
InChIKeyJYFFTZZHRDOUNQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.73
Rot. Bonds8

About N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide

N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide (PubChem CID 108745056) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide
PubChem CID108745056
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide
SMILESCc1ccc(Nc2ccccc2NC(=O)CCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-18-14-16-20(17-15-18)25-21-10-5-6-11-22(21)26-24(28)13-7-12-23(27)19-8-3-2-4-9-19/h2-6,8-11,14-17,25H,7,12-13H2,1H3,(H,26,28)
InChIKeyJYFFTZZHRDOUNQ-UHFFFAOYSA-N
XLogP5.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methylanilino)phenyl]butanamide
CID 108800818
N-[2-(4-methylanilino)phenyl]-4-naphthalen-2-yloxybutanamide
CID 108767376
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134
N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
CID 131938609
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide
CID 159516285
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
2-(4-fluorophenyl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767260
N-[2-[(2-cyanoacetyl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108922894
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide?
The IUPAC name of N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide (CID 108745056) is N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide is Cc1ccc(Nc2ccccc2NC(=O)CCCC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide?
The InChIKey is JYFFTZZHRDOUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18-14-16-20(17-15-18)25-21-10-5-6-11-22(21)26-24(28)13-7-12-23(27)19-8-3-2-4-9-19/h2-6,8-11,14-17,25H,7,12-13H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide?
N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide has a molecular weight of 372.47 g/mol, XLogP of 5.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 108745056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).