5-amino-2-(2-ethyl-6-methylanilino)benzamide

C16H19N3O — CID 61313663

IUPAC5-amino-2-(2-ethyl-6-methylanilino)benzamide
SMILESCCc1cccc(C)c1Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C16H19N3O/c1-3-11-6-4-5-10(2)15(11)19-14-8-7-12(17)9-13(14)16(18)20/h4-9,19H,3,17H2,1-2H3,(H2,18,20)
InChIKeyKWAVFVQOGAGSOS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.98
Rot. Bonds4

About 5-amino-2-(2-ethyl-6-methylanilino)benzamide

5-amino-2-(2-ethyl-6-methylanilino)benzamide (PubChem CID 61313663) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-amino-2-(2-ethyl-6-methylanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-ethyl-6-methylanilino)benzamide
PubChem CID61313663
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-amino-2-(2-ethyl-6-methylanilino)benzamide
SMILESCCc1cccc(C)c1Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C16H19N3O/c1-3-11-6-4-5-10(2)15(11)19-14-8-7-12(17)9-13(14)16(18)20/h4-9,19H,3,17H2,1-2H3,(H2,18,20)
InChIKeyKWAVFVQOGAGSOS-UHFFFAOYSA-N
XLogP2.98
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-(2-ethyl-6-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

5-amino-2-(2-ethylanilino)benzamide
CID 61306914
2-(2,6-dimethylanilino)-3-ethylbenzamide
CID 21484509
5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid
CID 63528499
4-(2-ethyl-6-methylanilino)-2,3-difluorobenzenecarbothioamide
CID 107934360
5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide
CID 81296395
3-(2-ethyl-6-methylanilino)pyridine-4-carbothioamide
CID 114288025
4-(2-ethyl-6-methylanilino)-3-fluorobenzoic acid
CID 82306613
5-amino-2-(4-propylanilino)benzamide
CID 61305335
5-amino-2-[(4-methyl-3-pyridinyl)amino]benzamide
CID 55202661
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 43258104

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-ethyl-6-methylanilino)benzamide?
The IUPAC name of 5-amino-2-(2-ethyl-6-methylanilino)benzamide (CID 61313663) is 5-amino-2-(2-ethyl-6-methylanilino)benzamide.
What is the SMILES notation for 5-amino-2-(2-ethyl-6-methylanilino)benzamide?
The canonical SMILES for 5-amino-2-(2-ethyl-6-methylanilino)benzamide is CCc1cccc(C)c1Nc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(2-ethyl-6-methylanilino)benzamide?
The InChIKey is KWAVFVQOGAGSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-11-6-4-5-10(2)15(11)19-14-8-7-12(17)9-13(14)16(18)20/h4-9,19H,3,17H2,1-2H3,(H2,18,20).
What are the key properties of 5-amino-2-(2-ethyl-6-methylanilino)benzamide?
5-amino-2-(2-ethyl-6-methylanilino)benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-ethyl-6-methylanilino)benzamide is sourced from PubChem (CID 61313663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).