3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide

C21H26N2O2 — CID 113118806

IUPAC3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1C)Cc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-15-5-8-19(9-6-15)14-23(18(4)24)12-11-21(25)22-20-10-7-16(2)13-17(20)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyFEZVEXNJZOCRSV-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.99
Rot. Bonds6

About 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide

3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 113118806) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
PubChem CID113118806
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1C)Cc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-15-5-8-19(9-6-15)14-23(18(4)24)12-11-21(25)22-20-10-7-16(2)13-17(20)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyFEZVEXNJZOCRSV-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113116006
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113118886
3-[acetyl(2-methoxyethyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113116966
3-(N-acetyl-4-ethylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113125415
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113118831
2-[4-[3-[acetyl(benzyl)amino]propanoylamino]-3-methylphenoxy]acetic acid
CID 119231417
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113118858
ethyl 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118881
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide
CID 56783118
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide (CID 113118806) is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)cc1C)Cc1ccc(C)cc1.
What is the InChIKey of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is FEZVEXNJZOCRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-5-8-19(9-6-15)14-23(18(4)24)12-11-21(25)22-20-10-7-16(2)13-17(20)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,25).
What are the key properties of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide?
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113118806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).