3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide

C21H26N2O2 — CID 113124315

IUPAC3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(C)cc1)c1cc(C)ccc1C
InChIInChI=1S/C21H26N2O2/c1-15-6-9-19(10-7-15)14-22-21(25)11-12-23(18(4)24)20-13-16(2)5-8-17(20)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyLNNCNQBNMNJOGW-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.67
Rot. Bonds6

About 3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide

3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 113124315) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID113124315
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(C)cc1)c1cc(C)ccc1C
InChIInChI=1S/C21H26N2O2/c1-15-6-9-19(10-7-15)14-22-21(25)11-12-23(18(4)24)20-13-16(2)5-8-17(20)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyLNNCNQBNMNJOGW-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124335
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide
CID 113124295
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113132842
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113127834
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113124393
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122053
3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129839

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide (CID 113124315) is 3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccc(C)cc1)c1cc(C)ccc1C.
What is the InChIKey of 3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is LNNCNQBNMNJOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-6-9-19(10-7-15)14-22-21(25)11-12-23(18(4)24)20-13-16(2)5-8-17(20)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide?
3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113124315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).