3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide

C21H24N2O3 — CID 113118677

IUPAC3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(Cc2cccc(C)c2)C(C)=O)c1
InChIInChI=1S/C21H24N2O3/c1-15-6-4-7-18(12-15)14-23(17(3)25)11-10-21(26)22-20-9-5-8-19(13-20)16(2)24/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,26)
InChIKeyPSHHHRYUTMRCEX-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.57
Rot. Bonds7

About 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide

3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide (PubChem CID 113118677) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide
PubChem CID113118677
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(Cc2cccc(C)c2)C(C)=O)c1
InChIInChI=1S/C21H24N2O3/c1-15-6-4-7-18(12-15)14-23(17(3)25)11-10-21(26)22-20-9-5-8-19(13-20)16(2)24/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,26)
InChIKeyPSHHHRYUTMRCEX-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113118645
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113118703
3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
CID 113124249
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118715
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019689
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
CID 113123078
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113118705
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide (CID 113118677) is 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide is CC(=O)c1cccc(NC(=O)CCN(Cc2cccc(C)c2)C(C)=O)c1.
What is the InChIKey of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide?
The InChIKey is PSHHHRYUTMRCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-6-4-7-18(12-15)14-23(17(3)25)11-10-21(26)22-20-9-5-8-19(13-20)16(2)24/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,26).
What are the key properties of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide?
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide is sourced from PubChem (CID 113118677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).