N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide

C19H22N2O2 — CID 109019689

IUPACN-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNCc2cccc(C)c2)c1
InChIInChI=1S/C19H22N2O2/c1-14-5-3-6-16(11-14)13-20-10-9-19(23)21-18-8-4-7-17(12-18)15(2)22/h3-8,11-12,20H,9-10,13H2,1-2H3,(H,21,23)
InChIKeyAIFKLUUQSWXNEP-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.32
Rot. Bonds7

About N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide

N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109019689) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109019689
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNCc2cccc(C)c2)c1
InChIInChI=1S/C19H22N2O2/c1-14-5-3-6-16(11-14)13-20-10-9-19(23)21-18-8-4-7-17(12-18)15(2)22/h3-8,11-12,20H,9-10,13H2,1-2H3,(H,21,23)
InChIKeyAIFKLUUQSWXNEP-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019663
N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019724
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019740
N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024328
N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984777
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide
CID 113118677
N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
N-(3-acetylphenyl)-3-(pentylamino)propanamide
CID 109032280
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822799
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide (CID 109019689) is N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide is CC(=O)c1cccc(NC(=O)CCNCc2cccc(C)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is AIFKLUUQSWXNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-5-3-6-16(11-14)13-20-10-9-19(23)21-18-8-4-7-17(12-18)15(2)22/h3-8,11-12,20H,9-10,13H2,1-2H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).