3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide

C20H24N2O2 — CID 113124717

IUPAC3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)c1cc(C)cc(C)c1
InChIInChI=1S/C20H24N2O2/c1-14-11-15(2)13-18(12-14)22(17(4)23)10-9-20(24)21-19-8-6-5-7-16(19)3/h5-8,11-13H,9-10H2,1-4H3,(H,21,24)
InChIKeyPQUHNDYPYJBNJI-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.99
Rot. Bonds5

About 3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide

3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide (PubChem CID 113124717) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
PubChem CID113124717
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)c1cc(C)cc(C)c1
InChIInChI=1S/C20H24N2O2/c1-14-11-15(2)13-18(12-14)22(17(4)23)10-9-20(24)21-19-8-6-5-7-16(19)3/h5-8,11-13H,9-10H2,1-4H3,(H,21,24)
InChIKeyPQUHNDYPYJBNJI-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
CID 113132716
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430
3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide
CID 113132296
methyl 3-[acetyl-[3-(2-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131393
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
CID 113133036
2-(N-acetyl-3-methylanilino)-N-(2-methylphenyl)acetamide
CID 113167544
2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide
CID 113168590
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124897

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide (CID 113124717) is 3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C)c1cc(C)cc(C)c1.
What is the InChIKey of 3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is PQUHNDYPYJBNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-11-15(2)13-18(12-14)22(17(4)23)10-9-20(24)21-19-8-6-5-7-16(19)3/h5-8,11-13H,9-10H2,1-4H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide?
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 324.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113124717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).