3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide

C18H20N2O3 — CID 110764229

IUPAC3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1NC(C)=O
InChIInChI=1S/C18H20N2O3/c1-12-4-6-14(7-5-12)11-19-18(22)15-8-9-17(23-3)16(10-15)20-13(2)21/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDFIJZLNUNHFDJQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.89
Rot. Bonds5

About 3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide

3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 110764229) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID110764229
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1NC(C)=O
InChIInChI=1S/C18H20N2O3/c1-12-4-6-14(7-5-12)11-19-18(22)15-8-9-17(23-3)16(10-15)20-13(2)21/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDFIJZLNUNHFDJQ-UHFFFAOYSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide
CID 157277660
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
3-acetamido-4-methoxy-N-propylbenzamide
CID 110764204
3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
CID 110764209
N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794398
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18092226
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086540
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide (CID 110764229) is 3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide is COc1ccc(C(=O)NCc2ccc(C)cc2)cc1NC(C)=O.
What is the InChIKey of 3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is DFIJZLNUNHFDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-4-6-14(7-5-12)11-19-18(22)15-8-9-17(23-3)16(10-15)20-13(2)21/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 110764229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).