3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide

C15H21NO3 — CID 104939154

IUPAC3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(O)cc(O)c2)CCCCC1
InChIInChI=1S/C15H21NO3/c1-15(5-3-2-4-6-15)10-16-14(19)11-7-12(17)9-13(18)8-11/h7-9,17-18H,2-6,10H2,1H3,(H,16,19)
InChIKeyXZMXTYLRDWNGDL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.80
Rot. Bonds3

About 3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide

3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide (PubChem CID 104939154) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide
PubChem CID104939154
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(O)cc(O)c2)CCCCC1
InChIInChI=1S/C15H21NO3/c1-15(5-3-2-4-6-15)10-16-14(19)11-7-12(17)9-13(18)8-11/h7-9,17-18H,2-6,10H2,1H3,(H,16,19)
InChIKeyXZMXTYLRDWNGDL-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 104939117
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
CID 103893307
3,5-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113347322
3-amino-N-[(1-methylcyclohexyl)methyl]benzamide
CID 103813013
3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide
CID 104939206
3-hydroxy-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide
CID 103756097
3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
CID 114094949
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
N-[(1-methylcyclohexyl)methyl]-4-sulfamoylbenzamide
CID 103754265
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
4-(ethylamino)-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63830909

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide (CID 104939154) is 3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide is CC1(CNC(=O)c2cc(O)cc(O)c2)CCCCC1.
What is the InChIKey of 3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide?
The InChIKey is XZMXTYLRDWNGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(5-3-2-4-6-15)10-16-14(19)11-7-12(17)9-13(18)8-11/h7-9,17-18H,2-6,10H2,1H3,(H,16,19).
What are the key properties of 3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide?
3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 104939154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).