4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide

C14H23N3O — CID 63357348

IUPAC4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide
SMILESCCC(C)C(C)Nc1cc(C(=O)NC)ccc1N
InChIInChI=1S/C14H23N3O/c1-5-9(2)10(3)17-13-8-11(14(18)16-4)6-7-12(13)15/h6-10,17H,5,15H2,1-4H3,(H,16,18)
InChIKeyVZDGZCHFXVZALT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.47
Rot. Bonds5

About 4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide

4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide (PubChem CID 63357348) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide
PubChem CID63357348
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide
SMILESCCC(C)C(C)Nc1cc(C(=O)NC)ccc1N
InChIInChI=1S/C14H23N3O/c1-5-9(2)10(3)17-13-8-11(14(18)16-4)6-7-12(13)15/h6-10,17H,5,15H2,1-4H3,(H,16,18)
InChIKeyVZDGZCHFXVZALT-UHFFFAOYSA-N
XLogP2.47
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-methyl-3-(3-methylpentan-2-ylamino)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

methyl 4-amino-3-(3-methylpentan-2-ylamino)benzoate
CID 82785073
4-amino-3-(1-hydroxybutan-2-ylamino)-N-methylbenzamide
CID 63357122
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
ethyl 4-amino-3-(3-ethylpentan-2-ylamino)benzoate
CID 82796257
4-amino-3-butan-2-yloxy-N-methylbenzamide
CID 63357542
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357263
4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide
CID 63357349
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide?
The IUPAC name of 4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide (CID 63357348) is 4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide?
The canonical SMILES for 4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide is CCC(C)C(C)Nc1cc(C(=O)NC)ccc1N.
What is the InChIKey of 4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide?
The InChIKey is VZDGZCHFXVZALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-9(2)10(3)17-13-8-11(14(18)16-4)6-7-12(13)15/h6-10,17H,5,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide?
4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide has a molecular weight of 249.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide is sourced from PubChem (CID 63357348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).