3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide

C13H19NO3 — CID 110014999

IUPAC3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)C(C)C)cc1O
InChIInChI=1S/C13H19NO3/c1-8(2)12(16)7-14-13(17)10-5-4-9(3)11(15)6-10/h4-6,8,12,15-16H,7H2,1-3H3,(H,14,17)
InChIKeyLAXJQCPZUBERIW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.45
Rot. Bonds4

About 3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide

3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide (PubChem CID 110014999) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide
PubChem CID110014999
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)C(C)C)cc1O
InChIInChI=1S/C13H19NO3/c1-8(2)12(16)7-14-13(17)10-5-4-9(3)11(15)6-10/h4-6,8,12,15-16H,7H2,1-3H3,(H,14,17)
InChIKeyLAXJQCPZUBERIW-UHFFFAOYSA-N
XLogP1.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-hydroxy-3,3-dimethylbutyl)-4-methylbenzamide
CID 110016294
N-(4-bromo-2-methylbutyl)-3-hydroxy-4-methylbenzamide
CID 114316818
3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
CID 103957156
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
N-but-2-ynyl-3-hydroxy-4-methylbenzamide
CID 115993868
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583150
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846
3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113349811
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
CID 107673076

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide (CID 110014999) is 3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide is Cc1ccc(C(=O)NCC(O)C(C)C)cc1O.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide?
The InChIKey is LAXJQCPZUBERIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)12(16)7-14-13(17)10-5-4-9(3)11(15)6-10/h4-6,8,12,15-16H,7H2,1-3H3,(H,14,17).
What are the key properties of 3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide?
3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide is sourced from PubChem (CID 110014999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).