3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide

C13H19N3O — CID 82988974

IUPAC3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
SMILESCCN(c1ccc(C(=O)NC)cc1N)C1CC1
InChIInChI=1S/C13H19N3O/c1-3-16(10-5-6-10)12-7-4-9(8-11(12)14)13(17)15-2/h4,7-8,10H,3,5-6,14H2,1-2H3,(H,15,17)
InChIKeyXHEVIPTXCRFKHW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.62
Rot. Bonds4

About 3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide

3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide (PubChem CID 82988974) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
PubChem CID82988974
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
SMILESCCN(c1ccc(C(=O)NC)cc1N)C1CC1
InChIInChI=1S/C13H19N3O/c1-3-16(10-5-6-10)12-7-4-9(8-11(12)14)13(17)15-2/h4,7-8,10H,3,5-6,14H2,1-2H3,(H,15,17)
InChIKeyXHEVIPTXCRFKHW-UHFFFAOYSA-N
XLogP1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.62
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

3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzamide
CID 82989186
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide
CID 82991708
3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
CID 82989107
3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide
CID 82989264
4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide
CID 78930092
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide
CID 102631347
3-amino-4-[(2-amino-2-oxoethyl)-butylamino]-N-methylbenzamide
CID 82988450
ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995082
3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
CID 82991957
3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82992382

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide (CID 82988974) is 3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide is CCN(c1ccc(C(=O)NC)cc1N)C1CC1.
What is the InChIKey of 3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide?
The InChIKey is XHEVIPTXCRFKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-16(10-5-6-10)12-7-4-9(8-11(12)14)13(17)15-2/h4,7-8,10H,3,5-6,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide?
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide is sourced from PubChem (CID 82988974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).