3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

C12H17NO3 — CID 110465856

IUPAC3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-12(2,8-14)7-13-11(16)9-4-3-5-10(15)6-9/h3-6,14-15H,7-8H2,1-2H3,(H,13,16)
InChIKeyBHFLPSKUVDTLIH-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.14
Rot. Bonds4

About 3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (PubChem CID 110465856) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
PubChem CID110465856
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-12(2,8-14)7-13-11(16)9-4-3-5-10(15)6-9/h3-6,14-15H,7-8H2,1-2H3,(H,13,16)
InChIKeyBHFLPSKUVDTLIH-UHFFFAOYSA-N
XLogP1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
CID 115364515
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
N-ethyl-3-hydroxybenzamide
CID 13175248
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
methyl 2-[(3-hydroxybenzoyl)amino]acetate
CID 578046
N-(3-amino-2,2-difluoropropyl)-3-hydroxybenzamide
CID 114383539
3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113349822
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The IUPAC name of 3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (CID 110465856) is 3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The canonical SMILES for 3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is CC(C)(CO)CNC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The InChIKey is BHFLPSKUVDTLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,8-14)7-13-11(16)9-4-3-5-10(15)6-9/h3-6,14-15H,7-8H2,1-2H3,(H,13,16).
What are the key properties of 3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide has a molecular weight of 223.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 110465856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).