2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

C15H21NO4 — CID 103890643

IUPAC2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1c(O)cccc1O
InChIInChI=1S/C15H21NO4/c17-10-15(7-2-1-3-8-15)9-16-14(20)13-11(18)5-4-6-12(13)19/h4-6,17-19H,1-3,7-10H2,(H,16,20)
InChIKeyIPALFEQXZHRYKI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.77
Rot. Bonds4

About 2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (PubChem CID 103890643) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
PubChem CID103890643
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1c(O)cccc1O
InChIInChI=1S/C15H21NO4/c17-10-15(7-2-1-3-8-15)9-16-14(20)13-11(18)5-4-6-12(13)19/h4-6,17-19H,1-3,7-10H2,(H,16,20)
InChIKeyIPALFEQXZHRYKI-UHFFFAOYSA-N
XLogP1.77
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
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-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
CID 107732018
4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701402
4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103830141
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
1-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107013778
1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683138

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (CID 103890643) is 2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is O=C(NCC1(CO)CCCCC1)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The InChIKey is IPALFEQXZHRYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-10-15(7-2-1-3-8-15)9-16-14(20)13-11(18)5-4-6-12(13)19/h4-6,17-19H,1-3,7-10H2,(H,16,20).
What are the key properties of 2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.77, 4 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)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 103890643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).