N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide

C17H27NO2 — CID 106353051

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC(CCO)C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)13-6-8-14(9-7-13)16(20)18-15(10-11-19)17(3,4)5/h6-9,12,15,19H,10-11H2,1-5H3,(H,18,20)
InChIKeyFHROBQWBXXWBMR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.34
Rot. Bonds5

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide (PubChem CID 106353051) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
PubChem CID106353051
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC(CCO)C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)13-6-8-14(9-7-13)16(20)18-15(10-11-19)17(3,4)5/h6-9,12,15,19H,10-11H2,1-5H3,(H,18,20)
InChIKeyFHROBQWBXXWBMR-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide 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

4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide
CID 103940884
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 16769025
3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347896
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
CID 114178197
N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide
CID 103941024
N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 97260201
3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347840

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide (CID 106353051) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC(CCO)C(C)(C)C)cc1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide?
The InChIKey is FHROBQWBXXWBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)13-6-8-14(9-7-13)16(20)18-15(10-11-19)17(3,4)5/h6-9,12,15,19H,10-11H2,1-5H3,(H,18,20).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide has a molecular weight of 277.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 106353051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).