5-amino-N-cyclopropyl-2-(propylamino)benzamide

C13H19N3O — CID 100638190

IUPAC5-amino-N-cyclopropyl-2-(propylamino)benzamide
SMILESCCCNc1ccc(N)cc1C(=O)NC1CC1
InChIInChI=1S/C13H19N3O/c1-2-7-15-12-6-3-9(14)8-11(12)13(17)16-10-4-5-10/h3,6,8,10,15H,2,4-5,7,14H2,1H3,(H,16,17)
InChIKeyKRZRCMIDFIICCT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds5

About 5-amino-N-cyclopropyl-2-(propylamino)benzamide

5-amino-N-cyclopropyl-2-(propylamino)benzamide (PubChem CID 100638190) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2-(propylamino)benzamide
PubChem CID100638190
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-amino-N-cyclopropyl-2-(propylamino)benzamide
SMILESCCCNc1ccc(N)cc1C(=O)NC1CC1
InChIInChI=1S/C13H19N3O/c1-2-7-15-12-6-3-9(14)8-11(12)13(17)16-10-4-5-10/h3,6,8,10,15H,2,4-5,7,14H2,1H3,(H,16,17)
InChIKeyKRZRCMIDFIICCT-UHFFFAOYSA-N
XLogP1.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide
CID 100639323
5-methyl-N-(4-methylcyclohexyl)-2-(propylamino)benzamide
CID 63500938
N-cyclohexyl-5-methyl-2-(propylamino)benzamide
CID 62509311
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
methyl 5-amino-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]benzoate
CID 79395347
propyl 5-amino-2-(propylamino)benzoate
CID 100638070
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide
CID 100644281
methyl 5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]benzoate
CID 61305550
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-2-(propylamino)benzamide?
The IUPAC name of 5-amino-N-cyclopropyl-2-(propylamino)benzamide (CID 100638190) is 5-amino-N-cyclopropyl-2-(propylamino)benzamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2-(propylamino)benzamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2-(propylamino)benzamide is CCCNc1ccc(N)cc1C(=O)NC1CC1.
What is the InChIKey of 5-amino-N-cyclopropyl-2-(propylamino)benzamide?
The InChIKey is KRZRCMIDFIICCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-7-15-12-6-3-9(14)8-11(12)13(17)16-10-4-5-10/h3,6,8,10,15H,2,4-5,7,14H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-cyclopropyl-2-(propylamino)benzamide?
5-amino-N-cyclopropyl-2-(propylamino)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-2-(propylamino)benzamide is sourced from PubChem (CID 100638190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).