5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide

C17H21N3O — CID 61090008

IUPAC5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1C
InChIInChI=1S/C17H21N3O/c1-11-5-7-14(9-12(11)2)19-17(21)15-10-13(18)6-8-16(15)20(3)4/h5-10H,18H2,1-4H3,(H,19,21)
InChIKeyZCZAWKQEFUIQJJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.20
Rot. Bonds3

About 5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide

5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide (PubChem CID 61090008) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide
PubChem CID61090008
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1C
InChIInChI=1S/C17H21N3O/c1-11-5-7-14(9-12(11)2)19-17(21)15-10-13(18)6-8-16(15)20(3)4/h5-10H,18H2,1-4H3,(H,19,21)
InChIKeyZCZAWKQEFUIQJJ-UHFFFAOYSA-N
XLogP3.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115375793
5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
CID 61089997
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
5-amino-2-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61091290
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide
CID 62902933
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 61102410
5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 120631954
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide
CID 82744970
5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 61090056
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide (CID 61090008) is 5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is ZCZAWKQEFUIQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-5-7-14(9-12(11)2)19-17(21)15-10-13(18)6-8-16(15)20(3)4/h5-10H,18H2,1-4H3,(H,19,21).
What are the key properties of 5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide?
5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 283.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 61090008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).