3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide

C15H23NO3 — CID 103899701

IUPAC3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H23NO3/c1-11-12(6-4-7-13(11)18)14(19)16-10-15(2,3)8-5-9-17/h4,6-7,17-18H,5,8-10H2,1-3H3,(H,16,19)
InChIKeyLTCAOGORYPWAEZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.23
Rot. Bonds6

About 3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide

3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide (PubChem CID 103899701) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
PubChem CID103899701
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H23NO3/c1-11-12(6-4-7-13(11)18)14(19)16-10-15(2,3)8-5-9-17/h4,6-7,17-18H,5,8-10H2,1-3H3,(H,16,19)
InChIKeyLTCAOGORYPWAEZ-UHFFFAOYSA-N
XLogP2.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
CID 106144803
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide
CID 103899589
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591
N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide
CID 103900087
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
CID 115868349
N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide
CID 106139307
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide (CID 103899701) is 3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCC(C)(C)CCCO.
What is the InChIKey of 3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
The InChIKey is LTCAOGORYPWAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-12(6-4-7-13(11)18)14(19)16-10-15(2,3)8-5-9-17/h4,6-7,17-18H,5,8-10H2,1-3H3,(H,16,19).
What are the key properties of 3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide has a molecular weight of 265.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide is sourced from PubChem (CID 103899701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).