4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide

C19H23N3O2 — CID 9045380

IUPAC4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C19H23N3O2/c1-13-4-5-16(14(2)10-13)11-22(3)12-18(23)21-17-8-6-15(7-9-17)19(20)24/h4-10H,11-12H2,1-3H3,(H2,20,24)(H,21,23)
InChIKeyUISGVKITNZPDGQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.47
Rot. Bonds6

About 4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide

4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide (PubChem CID 9045380) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
PubChem CID9045380
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C19H23N3O2/c1-13-4-5-16(14(2)10-13)11-22(3)12-18(23)21-17-8-6-15(7-9-17)19(20)24/h4-10H,11-12H2,1-3H3,(H2,20,24)(H,21,23)
InChIKeyUISGVKITNZPDGQ-UHFFFAOYSA-N
XLogP2.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9045618
dimethyl 5-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 9045702
2-[[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9037765
N-(2,5-dimethylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045365
3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 86979182
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9045319
N-(3,4-difluorophenyl)-2-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8695732
methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8805335
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 31378107
methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8550669

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide (CID 9045380) is 4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide is Cc1ccc(CN(C)CC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1.
What is the InChIKey of 4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide?
The InChIKey is UISGVKITNZPDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-4-5-16(14(2)10-13)11-22(3)12-18(23)21-17-8-6-15(7-9-17)19(20)24/h4-10H,11-12H2,1-3H3,(H2,20,24)(H,21,23).
What are the key properties of 4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide?
4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 9045380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).