2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide

C15H21NO4 — CID 65113519

IUPAC2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H21NO4/c1-20-11-5-6-13(17)12(9-11)14(18)16-10-15(19)7-3-2-4-8-15/h5-6,9,17,19H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyNLDQZACIYATDAZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.83
Rot. Bonds4

About 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide

2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide (PubChem CID 65113519) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
PubChem CID65113519
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H21NO4/c1-20-11-5-6-13(17)12(9-11)14(18)16-10-15(19)7-3-2-4-8-15/h5-6,9,17,19H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyNLDQZACIYATDAZ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 103969819
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 105418472
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 60717143
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 112835530
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
CID 111431601
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide (CID 65113519) is 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCC2(O)CCCCC2)c1.
What is the InChIKey of 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide?
The InChIKey is NLDQZACIYATDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-20-11-5-6-13(17)12(9-11)14(18)16-10-15(19)7-3-2-4-8-15/h5-6,9,17,19H,2-4,7-8,10H2,1H3,(H,16,18).
What are the key properties of 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide?
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 65113519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).