3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide

C19H31NO2 — CID 141127480

IUPAC3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C19H31NO2/c1-13(12-21)11-20-17(22)14-8-15(18(2,3)4)10-16(9-14)19(5,6)7/h8-10,13,21H,11-12H2,1-7H3,(H,20,22)
InChIKeyCLABRHGAXHCHOK-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.64
Rot. Bonds4

About 3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide

3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide (PubChem CID 141127480) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide
PubChem CID141127480
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C19H31NO2/c1-13(12-21)11-20-17(22)14-8-15(18(2,3)4)10-16(9-14)19(5,6)7/h8-10,13,21H,11-12H2,1-7H3,(H,20,22)
InChIKeyCLABRHGAXHCHOK-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)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-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide
CID 90164942
N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 65037242
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588
N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide
CID 65031669
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide (CID 141127480) is 3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide is CC(CO)CNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide?
The InChIKey is CLABRHGAXHCHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-13(12-21)11-20-17(22)14-8-15(18(2,3)4)10-16(9-14)19(5,6)7/h8-10,13,21H,11-12H2,1-7H3,(H,20,22).
What are the key properties of 3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide?
3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide has a molecular weight of 305.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 141127480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).