3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide

C19H22N2O2 — CID 113123816

IUPAC3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1cccc(C)c1
InChIInChI=1S/C19H22N2O2/c1-14-7-9-17(10-8-14)20-19(23)11-12-21(16(3)22)18-6-4-5-15(2)13-18/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyHLEHPNIDXLBMHM-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds5

About 3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide

3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide (PubChem CID 113123816) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
PubChem CID113123816
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1cccc(C)c1
InChIInChI=1S/C19H22N2O2/c1-14-7-9-17(10-8-14)20-19(23)11-12-21(16(3)22)18-6-4-5-15(2)13-18/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyHLEHPNIDXLBMHM-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-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 113123875
3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113123836
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113123896
methyl 3-[acetyl-[3-(3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131394
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)propanamide
CID 113132890
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide (CID 113123816) is 3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1cccc(C)c1.
What is the InChIKey of 3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is HLEHPNIDXLBMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-7-9-17(10-8-14)20-19(23)11-12-21(16(3)22)18-6-4-5-15(2)13-18/h4-10,13H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide?
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)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-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 113123816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).