3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide

C15H21NO4 — CID 103728999

IUPAC3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC(O)C2)cc1O
InChIInChI=1S/C15H21NO4/c1-20-14-6-5-11(8-13(14)18)15(19)16-9-10-3-2-4-12(17)7-10/h5-6,8,10,12,17-18H,2-4,7,9H2,1H3,(H,16,19)
InChIKeyCSDDWVHIFLBLLR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.68
Rot. Bonds4

About 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide

3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide (PubChem CID 103728999) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
PubChem CID103728999
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC(O)C2)cc1O
InChIInChI=1S/C15H21NO4/c1-20-14-6-5-11(8-13(14)18)15(19)16-9-10-3-2-4-12(17)7-10/h5-6,8,10,12,17-18H,2-4,7,9H2,1H3,(H,16,19)
InChIKeyCSDDWVHIFLBLLR-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557
3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-4-methoxybenzamide
CID 100853032
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114317315
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide (CID 103728999) is 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCCC(O)C2)cc1O.
What is the InChIKey of 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The InChIKey is CSDDWVHIFLBLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-20-14-6-5-11(8-13(14)18)15(19)16-9-10-3-2-4-12(17)7-10/h5-6,8,10,12,17-18H,2-4,7,9H2,1H3,(H,16,19).
What are the key properties of 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 103728999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).