3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide

C16H17N3O2 — CID 60944613

IUPAC3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccc(N)c1
InChIInChI=1S/C16H17N3O2/c1-19(16(21)12-6-5-7-13(17)10-12)11-15(20)18-14-8-3-2-4-9-14/h2-10H,11,17H2,1H3,(H,18,20)
InChIKeyPFZLJORXQAHUEL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.98
Rot. Bonds4

About 3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide

3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide (PubChem CID 60944613) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
PubChem CID60944613
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccc(N)c1
InChIInChI=1S/C16H17N3O2/c1-19(16(21)12-6-5-7-13(17)10-12)11-15(20)18-14-8-3-2-4-9-14/h2-10H,11,17H2,1H3,(H,18,20)
InChIKeyPFZLJORXQAHUEL-UHFFFAOYSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 46415026
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 60947012
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
CID 119691970
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
N-(2-anilino-2-oxoethyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46415007
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86979366

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide?
The IUPAC name of 3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide (CID 60944613) is 3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide is CN(CC(=O)Nc1ccccc1)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide?
The InChIKey is PFZLJORXQAHUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(16(21)12-6-5-7-13(17)10-12)11-15(20)18-14-8-3-2-4-9-14/h2-10H,11,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide?
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide is sourced from PubChem (CID 60944613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).