4-amino-3-[cyclopropyl(propyl)amino]benzamide

C13H19N3O — CID 55188930

IUPAC4-amino-3-[cyclopropyl(propyl)amino]benzamide
SMILESCCCN(c1cc(C(N)=O)ccc1N)C1CC1
InChIInChI=1S/C13H19N3O/c1-2-7-16(10-4-5-10)12-8-9(13(15)17)3-6-11(12)14/h3,6,8,10H,2,4-5,7,14H2,1H3,(H2,15,17)
InChIKeyCTSDIFVIUNNOBB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds5

About 4-amino-3-[cyclopropyl(propyl)amino]benzamide

4-amino-3-[cyclopropyl(propyl)amino]benzamide (PubChem CID 55188930) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-3-[cyclopropyl(propyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[cyclopropyl(propyl)amino]benzamide
PubChem CID55188930
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-amino-3-[cyclopropyl(propyl)amino]benzamide
SMILESCCCN(c1cc(C(N)=O)ccc1N)C1CC1
InChIInChI=1S/C13H19N3O/c1-2-7-16(10-4-5-10)12-8-9(13(15)17)3-6-11(12)14/h3,6,8,10H,2,4-5,7,14H2,1H3,(H2,15,17)
InChIKeyCTSDIFVIUNNOBB-UHFFFAOYSA-N
XLogP1.75
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[benzyl(cyclopropyl)amino]benzamide
CID 63356232
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzamide
CID 82989186
4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide
CID 63356225
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230
methyl 4-amino-3-[cyclopropyl(3-methylbutyl)amino]benzoate
CID 82785994
4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide
CID 78930092
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304260
3-chloro-4-[cyclopropyl(propyl)amino]benzoic acid
CID 55179695
4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide
CID 63360545
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopropyl(propyl)amino]benzamide?
The IUPAC name of 4-amino-3-[cyclopropyl(propyl)amino]benzamide (CID 55188930) is 4-amino-3-[cyclopropyl(propyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[cyclopropyl(propyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[cyclopropyl(propyl)amino]benzamide is CCCN(c1cc(C(N)=O)ccc1N)C1CC1.
What is the InChIKey of 4-amino-3-[cyclopropyl(propyl)amino]benzamide?
The InChIKey is CTSDIFVIUNNOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-7-16(10-4-5-10)12-8-9(13(15)17)3-6-11(12)14/h3,6,8,10H,2,4-5,7,14H2,1H3,(H2,15,17).
What are the key properties of 4-amino-3-[cyclopropyl(propyl)amino]benzamide?
4-amino-3-[cyclopropyl(propyl)amino]benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropyl(propyl)amino]benzamide is sourced from PubChem (CID 55188930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).