4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide

C18H20N2O3 — CID 110769674

IUPAC4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1C
InChIInChI=1S/C18H20N2O3/c1-11-12(2)16(23-3)9-6-14(11)10-17(21)20-15-7-4-13(5-8-15)18(19)22/h4-9H,10H2,1-3H3,(H2,19,22)(H,20,21)
InChIKeyQMMUPVYIINLCQH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.59
Rot. Bonds5

About 4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide

4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide (PubChem CID 110769674) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide
PubChem CID110769674
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1C
InChIInChI=1S/C18H20N2O3/c1-11-12(2)16(23-3)9-6-14(11)10-17(21)20-15-7-4-13(5-8-15)18(19)22/h4-9H,10H2,1-3H3,(H2,19,22)(H,20,21)
InChIKeyQMMUPVYIINLCQH-UHFFFAOYSA-N
XLogP2.59
TPSA81.42 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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17463761
4-[[2-(4-methoxy-3-propan-2-ylphenyl)acetyl]amino]benzamide
CID 110767597
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766635
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 108796107
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 46633585
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596085
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
CID 721935

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide (CID 110769674) is 4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide is COc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1C.
What is the InChIKey of 4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide?
The InChIKey is QMMUPVYIINLCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-12(2)16(23-3)9-6-14(11)10-17(21)20-15-7-4-13(5-8-15)18(19)22/h4-9H,10H2,1-3H3,(H2,19,22)(H,20,21).
What are the key properties of 4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide?
4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 110769674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).