3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide

C15H21NO3 — CID 64929504

IUPAC3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCCC2O)cc1O
InChIInChI=1S/C15H21NO3/c1-10-6-7-11(8-14(10)18)15(19)16-9-12-4-2-3-5-13(12)17/h6-8,12-13,17-18H,2-5,9H2,1H3,(H,16,19)
InChIKeyTUIXIWNCPCAISQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds3

About 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide

3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide (PubChem CID 64929504) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
PubChem CID64929504
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCCC2O)cc1O
InChIInChI=1S/C15H21NO3/c1-10-6-7-11(8-14(10)18)15(19)16-9-12-4-2-3-5-13(12)17/h6-8,12-13,17-18H,2-5,9H2,1H3,(H,16,19)
InChIKeyTUIXIWNCPCAISQ-UHFFFAOYSA-N
XLogP1.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 114306751
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
trans-(1S,2R)-2-[[(3,4-dimethylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732317
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103736731
N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
CID 106133207
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide (CID 64929504) is 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2CCCCC2O)cc1O.
What is the InChIKey of 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The InChIKey is TUIXIWNCPCAISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-7-11(8-14(10)18)15(19)16-9-12-4-2-3-5-13(12)17/h6-8,12-13,17-18H,2-5,9H2,1H3,(H,16,19).
What are the key properties of 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide?
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 64929504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).