N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide

C16H23NO3 — CID 95877860

IUPACN-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc1C
InChIInChI=1S/C16H23NO3/c1-11-10-12(8-9-15(11)20-3)16(19)17(2)13-6-4-5-7-14(13)18/h8-10,13-14,18H,4-7H2,1-3H3/t13-,14+/m1/s1
InChIKeyFKQXIULJDIUUKG-KGLIPLIRSA-N
MW277.36 g/mol
LogP2.38
Rot. Bonds3

About N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide

N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide (PubChem CID 95877860) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
PubChem CID95877860
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc1C
InChIInChI=1S/C16H23NO3/c1-11-10-12(8-9-15(11)20-3)16(19)17(2)13-6-4-5-7-14(13)18/h8-10,13-14,18H,4-7H2,1-3H3/t13-,14+/m1/s1
InChIKeyFKQXIULJDIUUKG-KGLIPLIRSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide
CID 102638874
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631172
3-chloro-4-ethoxy-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 95875729
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
CID 19916383
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide
CID 102631830
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
CID 102634914

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide?
The IUPAC name of N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide (CID 95877860) is N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide is COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc1C.
What is the InChIKey of N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide?
The InChIKey is FKQXIULJDIUUKG-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-10-12(8-9-15(11)20-3)16(19)17(2)13-6-4-5-7-14(13)18/h8-10,13-14,18H,4-7H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide?
N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide has a molecular weight of 277.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide is sourced from PubChem (CID 95877860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).