2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline

C23H27N3O3 — CID 174411447

IUPAC2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline
SMILESCOc1ccc(OC)c(NCC(=O)Nc2ccccc2)c1.Cc1ccccc1N
InChIInChI=1S/C16H18N2O3.C7H9N/c1-20-13-8-9-15(21-2)14(10-13)17-11-16(19)18-12-6-4-3-5-7-12;1-6-4-2-3-5-7(6)8/h3-10,17H,11H2,1-2H3,(H,18,19);2-5H,8H2,1H3
InChIKeyDKESNYSWNFZANJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.33
Rot. Bonds6

About 2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline

2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline (PubChem CID 174411447) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline
PubChem CID174411447
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline
SMILESCOc1ccc(OC)c(NCC(=O)Nc2ccccc2)c1.Cc1ccccc1N
InChIInChI=1S/C16H18N2O3.C7H9N/c1-20-13-8-9-15(21-2)14(10-13)17-11-16(19)18-12-6-4-3-5-7-12;1-6-4-2-3-5-7(6)8/h3-10,17H,11H2,1-2H3,(H,18,19);2-5H,8H2,1H3
InChIKeyDKESNYSWNFZANJ-UHFFFAOYSA-N
XLogP4.33
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54814109
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54814112
2-(2-chloro-5-methoxyanilino)-N-phenylacetamide
CID 47408313
N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814052
N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 54814086
2-(2,5-dimethoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54813924
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54814140
2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814166
2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54814050
2-(2,5-dimethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54813974
N-benzyl-3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54813928

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline (CID 174411447) is 2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline is COc1ccc(OC)c(NCC(=O)Nc2ccccc2)c1.Cc1ccccc1N.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline?
The InChIKey is DKESNYSWNFZANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3.C7H9N/c1-20-13-8-9-15(21-2)14(10-13)17-11-16(19)18-12-6-4-3-5-7-12;1-6-4-2-3-5-7(6)8/h3-10,17H,11H2,1-2H3,(H,18,19);2-5H,8H2,1H3.
What are the key properties of 2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline?
2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline has a molecular weight of 393.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline is sourced from PubChem (CID 174411447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).