N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide

C24H25N3O4 — CID 54814086

IUPACN-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C24H25N3O4/c1-30-20-12-13-22(31-2)21(14-20)25-16-23(28)27-19-10-8-18(9-11-19)24(29)26-15-17-6-4-3-5-7-17/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyMNXQABDIMWSBPZ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.68
Rot. Bonds9

About N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide

N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide (PubChem CID 54814086) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
PubChem CID54814086
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C24H25N3O4/c1-30-20-12-13-22(31-2)21(14-20)25-16-23(28)27-19-10-8-18(9-11-19)24(29)26-15-17-6-4-3-5-7-17/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyMNXQABDIMWSBPZ-UHFFFAOYSA-N
XLogP3.68
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54814140
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54814112
N-(2,5-dimethoxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119475
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765
2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline
CID 174411447
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
CID 2532138
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
N-benzyl-3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54813928
N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
CID 54839752
N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814052
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide (CID 54814086) is N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide is COc1ccc(OC)c(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1.
What is the InChIKey of N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide?
The InChIKey is MNXQABDIMWSBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-20-12-13-22(31-2)21(14-20)25-16-23(28)27-19-10-8-18(9-11-19)24(29)26-15-17-6-4-3-5-7-17/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide?
N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide has a molecular weight of 419.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54814086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).