2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide

C20H22N2O3 — CID 113175570

IUPAC2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)c1ccc(N(CC(=O)NCc2ccccc2C)C(C)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-6-4-5-7-18(14)12-21-20(25)13-22(16(3)24)19-10-8-17(9-11-19)15(2)23/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyVDVZCAOXJUJJBU-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.87
Rot. Bonds6

About 2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide

2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 113175570) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID113175570
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)c1ccc(N(CC(=O)NCc2ccccc2C)C(C)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-6-4-5-7-18(14)12-21-20(25)13-22(16(3)24)19-10-8-17(9-11-19)15(2)23/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyVDVZCAOXJUJJBU-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide
CID 113175577
2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113177110
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113178082
2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113169236
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113160407
2-[acetyl(benzyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113161182
2-(N,4-diacetylanilino)-N-(2-methoxyethyl)acetamide
CID 113175557
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
2-(N,4-diacetylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113175646
3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113124832
2-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175648

Frequently Asked Questions

What is the IUPAC name of 2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide (CID 113175570) is 2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide is CC(=O)c1ccc(N(CC(=O)NCc2ccccc2C)C(C)=O)cc1.
What is the InChIKey of 2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is VDVZCAOXJUJJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-6-4-5-7-18(14)12-21-20(25)13-22(16(3)24)19-10-8-17(9-11-19)15(2)23/h4-11H,12-13H2,1-3H3,(H,21,25).
What are the key properties of 2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide?
2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113175570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).