3-amino-4-(dibutylamino)benzamide

C15H25N3O — CID 43448369

IUPAC3-amino-4-(dibutylamino)benzamide
SMILESCCCCN(CCCC)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H25N3O/c1-3-5-9-18(10-6-4-2)14-8-7-12(15(17)19)11-13(14)16/h7-8,11H,3-6,9-10,16H2,1-2H3,(H2,17,19)
InChIKeyYXJBICGBRBXKGV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.77
Rot. Bonds8

About 3-amino-4-(dibutylamino)benzamide

3-amino-4-(dibutylamino)benzamide (PubChem CID 43448369) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-4-(dibutylamino)benzamide.

Molecular Properties

Compound Name3-amino-4-(dibutylamino)benzamide
PubChem CID43448369
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-amino-4-(dibutylamino)benzamide
SMILESCCCCN(CCCC)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H25N3O/c1-3-5-9-18(10-6-4-2)14-8-7-12(15(17)19)11-13(14)16/h7-8,11H,3-6,9-10,16H2,1-2H3,(H2,17,19)
InChIKeyYXJBICGBRBXKGV-UHFFFAOYSA-N
XLogP2.77
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-(dibutylamino)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-(dibutylamino)benzoic acid
CID 22096622
3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
CID 82989107
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
3-amino-4-[(2-amino-2-oxoethyl)-butylamino]-N-methylbenzamide
CID 82988450
3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
CID 43376020
methyl 4-amino-3-(dibutylamino)benzoate
CID 82785041
3-amino-4-[ethyl(3-fluoropropyl)amino]benzoic acid
CID 81105948
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-butoxybenzamide
CID 43448596
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462
4-methyl-1-N,1-N-dioctylbenzene-1,2-diamine
CID 155149115

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dibutylamino)benzamide?
The IUPAC name of 3-amino-4-(dibutylamino)benzamide (CID 43448369) is 3-amino-4-(dibutylamino)benzamide.
What is the SMILES notation for 3-amino-4-(dibutylamino)benzamide?
The canonical SMILES for 3-amino-4-(dibutylamino)benzamide is CCCCN(CCCC)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(dibutylamino)benzamide?
The InChIKey is YXJBICGBRBXKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-5-9-18(10-6-4-2)14-8-7-12(15(17)19)11-13(14)16/h7-8,11H,3-6,9-10,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-amino-4-(dibutylamino)benzamide?
3-amino-4-(dibutylamino)benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dibutylamino)benzamide is sourced from PubChem (CID 43448369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).