N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide

C15H21NO4 — CID 104928008

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H21NO4/c1-19-12-8-5-9-13(20-2)14(12)15(18)16-10-6-3-4-7-11(10)17/h5,8-11,17H,3-4,6-7H2,1-2H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyMTXIIOAYDMTVKP-GHMZBOCLSA-N
MW279.34 g/mol
LogP1.74
Rot. Bonds4

About N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide (PubChem CID 104928008) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
PubChem CID104928008
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H21NO4/c1-19-12-8-5-9-13(20-2)14(12)15(18)16-10-6-3-4-7-11(10)17/h5,8-11,17H,3-4,6-7H2,1-2H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyMTXIIOAYDMTVKP-GHMZBOCLSA-N
XLogP1.74
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide
CID 62960890
4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-3,5-dimethoxybenzamide
CID 104957285
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
CID 102739207
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
CID 106358693
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
2-fluoro-6-hydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 104920401
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide (CID 104928008) is N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide?
The InChIKey is MTXIIOAYDMTVKP-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-12-8-5-9-13(20-2)14(12)15(18)16-10-6-3-4-7-11(10)17/h5,8-11,17H,3-4,6-7H2,1-2H3,(H,16,18)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 104928008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).