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

C20H24N2O2 — CID 113118627

IUPAC3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)Cc1cccc(C)c1
InChIInChI=1S/C20H24N2O2/c1-15-6-4-8-18(12-15)14-22(17(3)23)11-10-20(24)21-19-9-5-7-16(2)13-19/h4-9,12-13H,10-11,14H2,1-3H3,(H,21,24)
InChIKeyUFRCVNSUUXNCHQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.68
Rot. Bonds6

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

3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide (PubChem CID 113118627) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
PubChem CID113118627
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)Cc1cccc(C)c1
InChIInChI=1S/C20H24N2O2/c1-15-6-4-8-18(12-15)14-22(17(3)23)11-10-20(24)21-19-9-5-7-16(2)13-19/h4-9,12-13H,10-11,14H2,1-3H3,(H,21,24)
InChIKeyUFRCVNSUUXNCHQ-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide
CID 113118677
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
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-[acetyl-[(3-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118715
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
CID 113123078
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
CID 113122510
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide
CID 113120974
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113118705

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide (CID 113118627) is 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C)c1)Cc1cccc(C)c1.
What is the InChIKey of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide?
The InChIKey is UFRCVNSUUXNCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-6-4-8-18(12-15)14-22(17(3)23)11-10-20(24)21-19-9-5-7-16(2)13-19/h4-9,12-13H,10-11,14H2,1-3H3,(H,21,24).
What are the key properties of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide?
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide has a molecular weight of 324.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113118627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).