3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide

C15H25N3O — CID 82999983

IUPAC3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(N(C)C(C)C(C)C)c(N)c1
InChIInChI=1S/C15H25N3O/c1-6-17-15(19)12-7-8-14(13(16)9-12)18(5)11(4)10(2)3/h7-11H,6,16H2,1-5H3,(H,17,19)
InChIKeyIHXKMYOPGYSEIY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.50
Rot. Bonds5

About 3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide

3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide (PubChem CID 82999983) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
PubChem CID82999983
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(N(C)C(C)C(C)C)c(N)c1
InChIInChI=1S/C15H25N3O/c1-6-17-15(19)12-7-8-14(13(16)9-12)18(5)11(4)10(2)3/h7-11H,6,16H2,1-5H3,(H,17,19)
InChIKeyIHXKMYOPGYSEIY-UHFFFAOYSA-N
XLogP2.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]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

3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide
CID 83000269
ethyl 3-amino-4-[methyl(3-methylbutan-2-yl)amino]benzoate
CID 61306432
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
CID 82999693
3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
CID 83000346
4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360740
3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide
CID 82999560
3-amino-N-ethyl-4-ethylsulfanylbenzamide
CID 83000148
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
CID 82999772
3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 82999998
4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
CID 55190535
3-amino-4-[2-cyanoethyl(2-methylpropyl)amino]-N-ethylbenzamide
CID 82989899

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide (CID 82999983) is 3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide is CCNC(=O)c1ccc(N(C)C(C)C(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide?
The InChIKey is IHXKMYOPGYSEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-17-15(19)12-7-8-14(13(16)9-12)18(5)11(4)10(2)3/h7-11H,6,16H2,1-5H3,(H,17,19).
What are the key properties of 3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide?
3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide is sourced from PubChem (CID 82999983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).