2-amino-3-(2-cyclopropylethylamino)benzamide

C12H17N3O — CID 115546423

IUPAC2-amino-3-(2-cyclopropylethylamino)benzamide
SMILESNC(=O)c1cccc(NCCC2CC2)c1N
InChIInChI=1S/C12H17N3O/c13-11-9(12(14)16)2-1-3-10(11)15-7-6-8-4-5-8/h1-3,8,15H,4-7,13H2,(H2,14,16)
InChIKeyRXBJTLDFJBDZDJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.58
Rot. Bonds5

About 2-amino-3-(2-cyclopropylethylamino)benzamide

2-amino-3-(2-cyclopropylethylamino)benzamide (PubChem CID 115546423) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-amino-3-(2-cyclopropylethylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(2-cyclopropylethylamino)benzamide
PubChem CID115546423
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-amino-3-(2-cyclopropylethylamino)benzamide
SMILESNC(=O)c1cccc(NCCC2CC2)c1N
InChIInChI=1S/C12H17N3O/c13-11-9(12(14)16)2-1-3-10(11)15-7-6-8-4-5-8/h1-3,8,15H,4-7,13H2,(H2,14,16)
InChIKeyRXBJTLDFJBDZDJ-UHFFFAOYSA-N
XLogP1.58
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.58
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

2-amino-3-(2-cyclopropylethylamino)benzoic acid
CID 115546421
methyl 2-amino-3-[2-(4-methylcyclohexyl)ethylamino]benzoate
CID 115546270
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
2-amino-3-[(4-propylcyclohexyl)amino]benzamide
CID 115545356
2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide
CID 115545622
2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479
5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 114516569
2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114129004
2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide
CID 115545852

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-cyclopropylethylamino)benzamide?
The IUPAC name of 2-amino-3-(2-cyclopropylethylamino)benzamide (CID 115546423) is 2-amino-3-(2-cyclopropylethylamino)benzamide.
What is the SMILES notation for 2-amino-3-(2-cyclopropylethylamino)benzamide?
The canonical SMILES for 2-amino-3-(2-cyclopropylethylamino)benzamide is NC(=O)c1cccc(NCCC2CC2)c1N.
What is the InChIKey of 2-amino-3-(2-cyclopropylethylamino)benzamide?
The InChIKey is RXBJTLDFJBDZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11-9(12(14)16)2-1-3-10(11)15-7-6-8-4-5-8/h1-3,8,15H,4-7,13H2,(H2,14,16).
What are the key properties of 2-amino-3-(2-cyclopropylethylamino)benzamide?
2-amino-3-(2-cyclopropylethylamino)benzamide has a molecular weight of 219.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-cyclopropylethylamino)benzamide is sourced from PubChem (CID 115546423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).