4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide

C24H25N3O4 — CID 54814112

IUPAC4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)c1
InChIInChI=1S/C24H25N3O4/c1-27(19-7-5-4-6-8-19)24(29)17-9-11-18(12-10-17)26-23(28)16-25-21-15-20(30-2)13-14-22(21)31-3/h4-15,25H,16H2,1-3H3,(H,26,28)
InChIKeyUUPAQEIIUGTBMY-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.03
Rot. Bonds8

About 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide

4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54814112) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54814112
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)c1
InChIInChI=1S/C24H25N3O4/c1-27(19-7-5-4-6-8-19)24(29)17-9-11-18(12-10-17)26-23(28)16-25-21-15-20(30-2)13-14-22(21)31-3/h4-15,25H,16H2,1-3H3,(H,26,28)
InChIKeyUUPAQEIIUGTBMY-UHFFFAOYSA-N
XLogP4.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 54814086
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838445
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54814140
4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840532
2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline
CID 174411447
N-benzyl-3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54813928
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230196
N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814052
N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953194
2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54814109
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838200
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838604

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide (CID 54814112) is 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide is COc1ccc(OC)c(NCC(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)c1.
What is the InChIKey of 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is UUPAQEIIUGTBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-27(19-7-5-4-6-8-19)24(29)17-9-11-18(12-10-17)26-23(28)16-25-21-15-20(30-2)13-14-22(21)31-3/h4-15,25H,16H2,1-3H3,(H,26,28).
What are the key properties of 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 419.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54814112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).