N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide

C15H21NO3 — CID 19916383

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H21NO3/c1-16(12-8-4-5-9-13(12)17)15(18)11-7-3-6-10-14(11)19-2/h3,6-7,10,12-13,17H,4-5,8-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyKYQOMWZVHDFENN-CHWSQXEVSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide (PubChem CID 19916383) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
PubChem CID19916383
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H21NO3/c1-16(12-8-4-5-9-13(12)17)15(18)11-7-3-6-10-14(11)19-2/h3,6-7,10,12-13,17H,4-5,8-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyKYQOMWZVHDFENN-CHWSQXEVSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102634779
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide
CID 19798383
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697
N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
CID 95877860
N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide
CID 19061815
2-hydroxy-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102632488
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
5-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102635118
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide (CID 19916383) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide is COc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide?
The InChIKey is KYQOMWZVHDFENN-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(12-8-4-5-9-13(12)17)15(18)11-7-3-6-10-14(11)19-2/h3,6-7,10,12-13,17H,4-5,8-9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 19916383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).