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

C13H19N3O2 — CID 102868412

IUPAC2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
SMILESNC(=O)c1cccc(N(CCO)C2CCC2)c1N
InChIInChI=1S/C13H19N3O2/c14-12-10(13(15)18)5-2-6-11(12)16(7-8-17)9-3-1-4-9/h2,5-6,9,17H,1,3-4,7-8,14H2,(H2,15,18)
InChIKeyKVGHFWKJAXKRDQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds5

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

2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide (PubChem CID 102868412) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
PubChem CID102868412
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
SMILESNC(=O)c1cccc(N(CCO)C2CCC2)c1N
InChIInChI=1S/C13H19N3O2/c14-12-10(13(15)18)5-2-6-11(12)16(7-8-17)9-3-1-4-9/h2,5-6,9,17H,1,3-4,7-8,14H2,(H2,15,18)
InChIKeyKVGHFWKJAXKRDQ-UHFFFAOYSA-N
XLogP0.72
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
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

2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
CID 115545500
2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide
CID 115545488
2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide
CID 115546593
2-amino-3-[2-cyanoethyl(cyclopropyl)amino]benzamide
CID 113332800
2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
CID 113332803
2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
CID 102863255
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 104716539
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
CID 82002580
3-[cyclopentyl(2-hydroxyethyl)amino]-2-nitrobenzoic acid
CID 115542324
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54994907

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide?
The IUPAC name of 2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide (CID 102868412) is 2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide is NC(=O)c1cccc(N(CCO)C2CCC2)c1N.
What is the InChIKey of 2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide?
The InChIKey is KVGHFWKJAXKRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-12-10(13(15)18)5-2-6-11(12)16(7-8-17)9-3-1-4-9/h2,5-6,9,17H,1,3-4,7-8,14H2,(H2,15,18).
What are the key properties of 2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide?
2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide is sourced from PubChem (CID 102868412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).