2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide

C12H17N3O2 — CID 115545488

IUPAC2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide
SMILESNC(=O)c1cccc(N(CCO)C2CC2)c1N
InChIInChI=1S/C12H17N3O2/c13-11-9(12(14)17)2-1-3-10(11)15(6-7-16)8-4-5-8/h1-3,8,16H,4-7,13H2,(H2,14,17)
InChIKeyUBNSBTVOESRCIU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.33
Rot. Bonds5

About 2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide

2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide (PubChem CID 115545488) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide
PubChem CID115545488
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide
SMILESNC(=O)c1cccc(N(CCO)C2CC2)c1N
InChIInChI=1S/C12H17N3O2/c13-11-9(12(14)17)2-1-3-10(11)15(6-7-16)8-4-5-8/h1-3,8,16H,4-7,13H2,(H2,14,17)
InChIKeyUBNSBTVOESRCIU-UHFFFAOYSA-N
XLogP0.33
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, 2-((2-hydroxyethyl)amino)-
CID 3086277
Benzamide, 2-((3-hydroxypropyl)amino)-
CID 3086278
2,4-Diamino-5-[bis(2-hydroxyethyl)amino]benzamide
CID 10354953
Benzamide, 2-((2-hydroxypropyl)amino)-
CID 58897
N-ethyl-2-(2-hydroxyethylamino)benzamide
CID 11252772
Bis-dimethylaminobenzaldehyde
CID 53674894
2-(3-(4-(2-Hydroxyethyl)piperazin-1-yl)propanamido)benzamide
CID 56761946
2-Amino-4-fluoro-5-[2-hydroxyethyl(methyl)amino]benzamide
CID 61989240
2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide
CID 139713734
2-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide
CID 139713785
2-(4-Hydroxypiperidin-1-yl)benzamide
CID 68505496
2-amino-3-(cyclohexylmethylamino)-N-methylbenzamide
CID 176433266

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide?
The IUPAC name of 2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide (CID 115545488) is 2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide is NC(=O)c1cccc(N(CCO)C2CC2)c1N.
What is the InChIKey of 2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide?
The InChIKey is UBNSBTVOESRCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-11-9(12(14)17)2-1-3-10(11)15(6-7-16)8-4-5-8/h1-3,8,16H,4-7,13H2,(H2,14,17).
What are the key properties of 2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide?
2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide is sourced from PubChem (CID 115545488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).