3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide

C13H20N2O2 — CID 114003701

IUPAC3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
SMILESCC(C)C(C)(O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)13(3,17)8-15-11-6-4-5-10(7-11)12(14)16/h4-7,9,15,17H,8H2,1-3H3,(H2,14,16)
InChIKeyIJDYKPSPRQPNSF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.60
Rot. Bonds5

About 3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide

3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide (PubChem CID 114003701) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
PubChem CID114003701
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
SMILESCC(C)C(C)(O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)13(3,17)8-15-11-6-4-5-10(7-11)12(14)16/h4-7,9,15,17H,8H2,1-3H3,(H2,14,16)
InChIKeyIJDYKPSPRQPNSF-UHFFFAOYSA-N
XLogP1.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
CID 81411204
2,3-dimethyl-1-(3-methylsulfanylanilino)butan-2-ol
CID 114492485
3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide
CID 111121610
3-(2,4-dimethylpentylamino)benzamide
CID 114200196
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703
3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
CID 113218880
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
3-(methylamino)benzamide
CID 18727714
3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide
CID 107811857
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide
CID 107811795
3-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]benzamide
CID 107811886

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide?
The IUPAC name of 3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide (CID 114003701) is 3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide.
What is the SMILES notation for 3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide?
The canonical SMILES for 3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide is CC(C)C(C)(O)CNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide?
The InChIKey is IJDYKPSPRQPNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)13(3,17)8-15-11-6-4-5-10(7-11)12(14)16/h4-7,9,15,17H,8H2,1-3H3,(H2,14,16).
What are the key properties of 3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide?
3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide has a molecular weight of 236.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide is sourced from PubChem (CID 114003701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).