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

C18H21N3O4 — CID 54814140

IUPAC4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H21N3O4/c1-19-18(23)12-4-6-13(7-5-12)21-17(22)11-20-15-10-14(24-2)8-9-16(15)25-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyGSFMISWQBDDXEG-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.11
Rot. Bonds7

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

4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide (PubChem CID 54814140) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
PubChem CID54814140
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H21N3O4/c1-19-18(23)12-4-6-13(7-5-12)21-17(22)11-20-15-10-14(24-2)8-9-16(15)25-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyGSFMISWQBDDXEG-UHFFFAOYSA-N
XLogP2.11
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 54814086
N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814052
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54814112
2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54814050
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline
CID 174411447
N-(4-acetylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 26437961
4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840532
N-(2,5-dimethoxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119475
N-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178370
2-(2,5-dimethoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54813924
2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 109008943

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide (CID 54814140) is 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CNc2cc(OC)ccc2OC)cc1.
What is the InChIKey of 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide?
The InChIKey is GSFMISWQBDDXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-19-18(23)12-4-6-13(7-5-12)21-17(22)11-20-15-10-14(24-2)8-9-16(15)25-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide?
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 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-methylbenzamide is sourced from PubChem (CID 54814140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).