2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide

C15H21NO4 — CID 107690075

IUPAC2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
SMILESCC1CCCC(CO)(NC(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C15H21NO4/c1-10-4-3-7-15(8-10,9-17)16-14(20)13-11(18)5-2-6-12(13)19/h2,5-6,10,17-19H,3-4,7-9H2,1H3,(H,16,20)
InChIKeyBYYVLKZIIUCPKB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.77
Rot. Bonds3

About 2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide

2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide (PubChem CID 107690075) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
PubChem CID107690075
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
SMILESCC1CCCC(CO)(NC(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C15H21NO4/c1-10-4-3-7-15(8-10,9-17)16-14(20)13-11(18)5-2-6-12(13)19/h2,5-6,10,17-19H,3-4,7-9H2,1H3,(H,16,20)
InChIKeyBYYVLKZIIUCPKB-UHFFFAOYSA-N
XLogP1.77
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide
CID 81394673
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843
2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 81479815
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 62527090
5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 62527012
5-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527720
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 62525635
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,6-difluorobenzamide
CID 114304014
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide (CID 107690075) is 2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide is CC1CCCC(CO)(NC(=O)c2c(O)cccc2O)C1.
What is the InChIKey of 2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The InChIKey is BYYVLKZIIUCPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-4-3-7-15(8-10,9-17)16-14(20)13-11(18)5-2-6-12(13)19/h2,5-6,10,17-19H,3-4,7-9H2,1H3,(H,16,20).
What are the key properties of 2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide is sourced from PubChem (CID 107690075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).