3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide

C13H19N3O — CID 43568852

IUPAC3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide
SMILESCC(C1CC1)N(C)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H19N3O/c1-8(9-3-4-9)16(2)12-6-5-10(13(15)17)7-11(12)14/h5-9H,3-4,14H2,1-2H3,(H2,15,17)
InChIKeyYIJRHOMHRCQUBW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.60
Rot. Bonds4

About 3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide

3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide (PubChem CID 43568852) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide
PubChem CID43568852
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide
SMILESCC(C1CC1)N(C)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H19N3O/c1-8(9-3-4-9)16(2)12-6-5-10(13(15)17)7-11(12)14/h5-9H,3-4,14H2,1-2H3,(H2,15,17)
InChIKeyYIJRHOMHRCQUBW-UHFFFAOYSA-N
XLogP1.60
TPSA72.35 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 ≤ 51.60
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(methyl)amino]benzamide
CID 43448462
4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
CID 43568860
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
CID 63356402
3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
CID 61094426
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628
4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76935425
3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide
CID 63990338
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
3-amino-4-(dibutylamino)benzamide
CID 43448369
4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 107074108
2-[1-cyclopropylethyl(methyl)amino]-5-methylbenzenecarbothioamide
CID 107928569
2-[1-cyclopropylethyl(methyl)amino]-5-fluorobenzenecarbothioamide
CID 55232697

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide?
The IUPAC name of 3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide (CID 43568852) is 3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide.
What is the SMILES notation for 3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide?
The canonical SMILES for 3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide is CC(C1CC1)N(C)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide?
The InChIKey is YIJRHOMHRCQUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(9-3-4-9)16(2)12-6-5-10(13(15)17)7-11(12)14/h5-9H,3-4,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide?
3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide is sourced from PubChem (CID 43568852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).