2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide

C20H22N2O3 — CID 113161495

IUPAC2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(Cc2ccccc2C)C(C)=O)c1
InChIInChI=1S/C20H22N2O3/c1-14-7-4-5-8-18(14)12-22(16(3)24)13-20(25)21-19-10-6-9-17(11-19)15(2)23/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyNWASARMOIVTYQY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.18
Rot. Bonds6

About 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide

2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide (PubChem CID 113161495) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
PubChem CID113161495
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(Cc2ccccc2C)C(C)=O)c1
InChIInChI=1S/C20H22N2O3/c1-14-7-4-5-8-18(14)12-22(16(3)24)13-20(25)21-19-10-6-9-17(11-19)15(2)23/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyNWASARMOIVTYQY-UHFFFAOYSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113162643
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 113161451
N-(3-acetylphenyl)-2-[acetyl(propyl)amino]acetamide
CID 113158044
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113165639
N-(3-acetylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
CID 55351492
2-(N-acetyl-2,6-diethylanilino)-N-(3-acetylphenyl)acetamide
CID 113170208
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide
CID 113118535
N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide
CID 52689391
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113161524
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113162602

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide (CID 113161495) is 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide is CC(=O)c1cccc(NC(=O)CN(Cc2ccccc2C)C(C)=O)c1.
What is the InChIKey of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
The InChIKey is NWASARMOIVTYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-7-4-5-8-18(14)12-22(16(3)24)13-20(25)21-19-10-6-9-17(11-19)15(2)23/h4-11H,12-13H2,1-3H3,(H,21,25).
What are the key properties of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide is sourced from PubChem (CID 113161495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).