N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide

C19H22N2O2 — CID 17428772

IUPACN-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O2/c1-12-5-6-13(2)18(11-12)20-14(3)19(23)21-17-9-7-16(8-10-17)15(4)22/h5-11,14,20H,1-4H3,(H,21,23)
InChIKeyCADKSTMIHFEIHP-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.95
Rot. Bonds5

About N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide

N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide (PubChem CID 17428772) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide
PubChem CID17428772
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O2/c1-12-5-6-13(2)18(11-12)20-14(3)19(23)21-17-9-7-16(8-10-17)15(4)22/h5-11,14,20H,1-4H3,(H,21,23)
InChIKeyCADKSTMIHFEIHP-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 43001096
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
(2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 41024071
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
CID 40954484
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566328
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
(2S)-2-(2,5-dimethylanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 8558262
1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
CID 59080758
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide (CID 17428772) is N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide is CC(=O)c1ccc(NC(=O)C(C)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide?
The InChIKey is CADKSTMIHFEIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12-5-6-13(2)18(11-12)20-14(3)19(23)21-17-9-7-16(8-10-17)15(4)22/h5-11,14,20H,1-4H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide?
N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide is sourced from PubChem (CID 17428772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).