3-amino-4-(N-ethyl-3-methylanilino)benzamide

C16H19N3O — CID 61076216

IUPAC3-amino-4-(N-ethyl-3-methylanilino)benzamide
SMILESCCN(c1cccc(C)c1)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C16H19N3O/c1-3-19(13-6-4-5-11(2)9-13)15-8-7-12(16(18)20)10-14(15)17/h4-10H,3,17H2,1-2H3,(H2,18,20)
InChIKeyWAXMAEWTTYGRCR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds4

About 3-amino-4-(N-ethyl-3-methylanilino)benzamide

3-amino-4-(N-ethyl-3-methylanilino)benzamide (PubChem CID 61076216) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-4-(N-ethyl-3-methylanilino)benzamide.

Molecular Properties

Compound Name3-amino-4-(N-ethyl-3-methylanilino)benzamide
PubChem CID61076216
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-amino-4-(N-ethyl-3-methylanilino)benzamide
SMILESCCN(c1cccc(C)c1)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C16H19N3O/c1-3-19(13-6-4-5-11(2)9-13)15-8-7-12(16(18)20)10-14(15)17/h4-10H,3,17H2,1-2H3,(H2,18,20)
InChIKeyWAXMAEWTTYGRCR-UHFFFAOYSA-N
XLogP2.83
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-(N-ethyl-3-methylanilino)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

4-amino-3-(N-ethyl-3-methylanilino)benzamide
CID 63355886
3-amino-4-(N-ethylanilino)benzoic acid
CID 54888270
1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63402660
3-bromo-4-(N-ethyl-3-methylanilino)benzoic acid
CID 82800688
2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 115554643
2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde
CID 114054158
2-amino-3-(N-ethyl-3-methylanilino)benzonitrile
CID 104716397
2-(N-ethyl-3-methylanilino)-6-fluorobenzoic acid
CID 79523101
2-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 61075693
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
3-amino-4-(dibutylamino)benzamide
CID 43448369
6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 61101859

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(N-ethyl-3-methylanilino)benzamide?
The IUPAC name of 3-amino-4-(N-ethyl-3-methylanilino)benzamide (CID 61076216) is 3-amino-4-(N-ethyl-3-methylanilino)benzamide.
What is the SMILES notation for 3-amino-4-(N-ethyl-3-methylanilino)benzamide?
The canonical SMILES for 3-amino-4-(N-ethyl-3-methylanilino)benzamide is CCN(c1cccc(C)c1)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(N-ethyl-3-methylanilino)benzamide?
The InChIKey is WAXMAEWTTYGRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-19(13-6-4-5-11(2)9-13)15-8-7-12(16(18)20)10-14(15)17/h4-10H,3,17H2,1-2H3,(H2,18,20).
What are the key properties of 3-amino-4-(N-ethyl-3-methylanilino)benzamide?
3-amino-4-(N-ethyl-3-methylanilino)benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(N-ethyl-3-methylanilino)benzamide is sourced from PubChem (CID 61076216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).