2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide

C16H23NO4 — CID 115701396

IUPAC2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(CO)CCCCC2)c(O)c1
InChIInChI=1S/C16H23NO4/c1-21-12-5-6-13(14(19)9-12)15(20)17-10-16(11-18)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-11H2,1H3,(H,17,20)
InChIKeyJZHDCECQHJMTDT-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.07
Rot. Bonds5

About 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide

2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide (PubChem CID 115701396) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
PubChem CID115701396
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(CO)CCCCC2)c(O)c1
InChIInChI=1S/C16H23NO4/c1-21-12-5-6-13(14(19)9-12)15(20)17-10-16(11-18)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-11H2,1H3,(H,17,20)
InChIKeyJZHDCECQHJMTDT-UHFFFAOYSA-N
XLogP2.07
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
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-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 103969819
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-methoxybenzoic acid
CID 103968378
2-hydroxy-4-methoxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761721
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519
N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 114303332
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
CID 107732018

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide (CID 115701396) is 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2(CO)CCCCC2)c(O)c1.
What is the InChIKey of 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
The InChIKey is JZHDCECQHJMTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-21-12-5-6-13(14(19)9-12)15(20)17-10-16(11-18)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-11H2,1H3,(H,17,20).
What are the key properties of 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide has a molecular weight of 293.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 115701396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).