N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide

C18H21N3O2 — CID 39450231

IUPACN-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H21N3O2/c1-12-7-13(2)9-17(8-12)19-11-18(23)21-16-6-4-5-15(10-16)20-14(3)22/h4-10,19H,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZKQBCXUUABOCLI-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.31
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide

N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide (PubChem CID 39450231) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
PubChem CID39450231
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H21N3O2/c1-12-7-13(2)9-17(8-12)19-11-18(23)21-16-6-4-5-15(10-16)20-14(3)22/h4-10,19H,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZKQBCXUUABOCLI-UHFFFAOYSA-N
XLogP3.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
CID 50988159
2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54831443
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
2-(3,5-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813315
N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
CID 54812613
2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
CID 107583061

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide (CID 39450231) is N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide is CC(=O)Nc1cccc(NC(=O)CNc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide?
The InChIKey is ZKQBCXUUABOCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-7-13(2)9-17(8-12)19-11-18(23)21-16-6-4-5-15(10-16)20-14(3)22/h4-10,19H,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide?
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide has a molecular weight of 311.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide is sourced from PubChem (CID 39450231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).