5-amino-2-[butyl(cyclopropyl)amino]benzamide

C14H21N3O — CID 61443918

IUPAC5-amino-2-[butyl(cyclopropyl)amino]benzamide
SMILESCCCCN(c1ccc(N)cc1C(N)=O)C1CC1
InChIInChI=1S/C14H21N3O/c1-2-3-8-17(11-5-6-11)13-7-4-10(15)9-12(13)14(16)18/h4,7,9,11H,2-3,5-6,8,15H2,1H3,(H2,16,18)
InChIKeyXFBQFAZJQGCHEP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds6

About 5-amino-2-[butyl(cyclopropyl)amino]benzamide

5-amino-2-[butyl(cyclopropyl)amino]benzamide (PubChem CID 61443918) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-amino-2-[butyl(cyclopropyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[butyl(cyclopropyl)amino]benzamide
PubChem CID61443918
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-amino-2-[butyl(cyclopropyl)amino]benzamide
SMILESCCCCN(c1ccc(N)cc1C(N)=O)C1CC1
InChIInChI=1S/C14H21N3O/c1-2-3-8-17(11-5-6-11)13-7-4-10(15)9-12(13)14(16)18/h4,7,9,11H,2-3,5-6,8,15H2,1H3,(H2,16,18)
InChIKeyXFBQFAZJQGCHEP-UHFFFAOYSA-N
XLogP2.14
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-[butyl(cyclopropyl)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

1-N-butyl-1-N-cyclopropyl-2-methylbenzene-1,4-diamine
CID 61440854
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995035
ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 61455680
1-[2-[butyl(cyclopropyl)amino]-5-nitrophenyl]ethanone
CID 62872294
2-amino-5-[butyl(cyclopropyl)amino]benzoic acid
CID 61443820
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]benzoate
CID 54997374
1-N-butyl-1-N-cyclopropyl-4-methylsulfonylbenzene-1,2-diamine
CID 61440950
5-amino-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 55136103
4-amino-3-[cyclopropyl(propyl)amino]benzamide
CID 55188930
ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate
CID 61307078
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548
5-amino-2-[cyclopropyl(propyl)amino]benzonitrile
CID 61295595

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[butyl(cyclopropyl)amino]benzamide?
The IUPAC name of 5-amino-2-[butyl(cyclopropyl)amino]benzamide (CID 61443918) is 5-amino-2-[butyl(cyclopropyl)amino]benzamide.
What is the SMILES notation for 5-amino-2-[butyl(cyclopropyl)amino]benzamide?
The canonical SMILES for 5-amino-2-[butyl(cyclopropyl)amino]benzamide is CCCCN(c1ccc(N)cc1C(N)=O)C1CC1.
What is the InChIKey of 5-amino-2-[butyl(cyclopropyl)amino]benzamide?
The InChIKey is XFBQFAZJQGCHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-3-8-17(11-5-6-11)13-7-4-10(15)9-12(13)14(16)18/h4,7,9,11H,2-3,5-6,8,15H2,1H3,(H2,16,18).
What are the key properties of 5-amino-2-[butyl(cyclopropyl)amino]benzamide?
5-amino-2-[butyl(cyclopropyl)amino]benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[butyl(cyclopropyl)amino]benzamide is sourced from PubChem (CID 61443918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).