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

C15H21NO3 — CID 82828909

IUPAC3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1CCCCC1O
InChIInChI=1S/C15H21NO3/c1-10-12(6-4-8-13(10)17)15(19)16-9-11-5-2-3-7-14(11)18/h4,6,8,11,14,17-18H,2-3,5,7,9H2,1H3,(H,16,19)
InChIKeyHAHXXVLTWRNAPT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds3

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

3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide (PubChem CID 82828909) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
PubChem CID82828909
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1CCCCC1O
InChIInChI=1S/C15H21NO3/c1-10-12(6-4-8-13(10)17)15(19)16-9-11-5-2-3-7-14(11)18/h4,6,8,11,14,17-18H,2-3,5,7,9H2,1H3,(H,16,19)
InChIKeyHAHXXVLTWRNAPT-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-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830986
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-methylbenzamide
CID 107100189
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 114317339
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 64911942
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide (CID 82828909) is 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCC1CCCCC1O.
What is the InChIKey of 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide?
The InChIKey is HAHXXVLTWRNAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-12(6-4-8-13(10)17)15(19)16-9-11-5-2-3-7-14(11)18/h4,6,8,11,14,17-18H,2-3,5,7,9H2,1H3,(H,16,19).
What are the key properties of 3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide?
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-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]-2-methylbenzamide is sourced from PubChem (CID 82828909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).