3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide

C19H22N2O2 — CID 113123430

IUPAC3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14-9-10-15(2)18(13-14)20-19(23)11-12-21(16(3)22)17-7-5-4-6-8-17/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyMRCIVUNPDZRWQI-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds5

About 3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide

3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 113123430) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
PubChem CID113123430
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14-9-10-15(2)18(13-14)20-19(23)11-12-21(16(3)22)17-7-5-4-6-8-17/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyMRCIVUNPDZRWQI-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113131139
3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113127429
3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124897
methyl 4-[acetyl-[3-(2,5-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 113131529
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
CID 113124717
3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
CID 113132716
N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108953543
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide
CID 113132296
3-(N-acetyl-4-ethylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113125415
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 113119482

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide (CID 113123430) is 3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of 3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is MRCIVUNPDZRWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-9-10-15(2)18(13-14)20-19(23)11-12-21(16(3)22)17-7-5-4-6-8-17/h4-10,13H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide?
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113123430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).