2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide

C15H21NO4 — CID 64911532

IUPAC2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC2CCCCC2O)c1
InChIInChI=1S/C15H21NO4/c1-20-11-6-7-14(18)12(8-11)15(19)16-9-10-4-2-3-5-13(10)17/h6-8,10,13,17-18H,2-5,9H2,1H3,(H,16,19)
InChIKeyHTHNKKKAUCJFCP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.68
Rot. Bonds4

About 2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide

2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide (PubChem CID 64911532) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
PubChem CID64911532
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC2CCCCC2O)c1
InChIInChI=1S/C15H21NO4/c1-20-11-6-7-14(18)12(8-11)15(19)16-9-10-4-2-3-5-13(10)17/h6-8,10,13,17-18H,2-5,9H2,1H3,(H,16,19)
InChIKeyHTHNKKKAUCJFCP-UHFFFAOYSA-N
XLogP1.68
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-5-methoxybenzamide
CID 82731920
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 106124081
N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114301418
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 114317332
5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide
CID 103727506
2-hydroxy-5-methoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955702
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
CID 54943363
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide (CID 64911532) is 2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCC2CCCCC2O)c1.
What is the InChIKey of 2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide?
The InChIKey is HTHNKKKAUCJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-20-11-6-7-14(18)12(8-11)15(19)16-9-10-4-2-3-5-13(10)17/h6-8,10,13,17-18H,2-5,9H2,1H3,(H,16,19).
What are the key properties of 2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide?
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 64911532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).