2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide

C14H19NO4 — CID 104956910

IUPAC2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)c(O)c1
InChIInChI=1S/C14H19NO4/c1-19-9-6-7-10(13(17)8-9)14(18)15-11-4-2-3-5-12(11)16/h6-8,11-12,16-17H,2-5H2,1H3,(H,15,18)/t11-,12-/m0/s1
InChIKeyNTKVASMEDDGDFE-RYUDHWBXSA-N
MW265.31 g/mol
LogP1.43
Rot. Bonds3

About 2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide

2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide (PubChem CID 104956910) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
PubChem CID104956910
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)c(O)c1
InChIInChI=1S/C14H19NO4/c1-19-9-6-7-10(13(17)8-9)14(18)15-11-4-2-3-5-12(11)16/h6-8,11-12,16-17H,2-5H2,1H3,(H,15,18)/t11-,12-/m0/s1
InChIKeyNTKVASMEDDGDFE-RYUDHWBXSA-N
XLogP1.43
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(2-hydroxycyclohexyl)-4-methoxybenzamide
CID 103816699
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
N-(2-aminocyclopropyl)-2-hydroxy-4-methoxybenzamide
CID 43593875
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452
N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide
CID 79877931
N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 114312002
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298
2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide
CID 118783095
2-hydroxy-4-methoxy-N-(3-methylcyclobutyl)benzamide
CID 115671067
4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60810345
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide (CID 104956910) is 2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)c(O)c1.
What is the InChIKey of 2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide?
The InChIKey is NTKVASMEDDGDFE-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-9-6-7-10(13(17)8-9)14(18)15-11-4-2-3-5-12(11)16/h6-8,11-12,16-17H,2-5H2,1H3,(H,15,18)/t11-,12-/m0/s1.
What are the key properties of 2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide?
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide is sourced from PubChem (CID 104956910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).