N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide

C16H23NO4 — CID 27261505

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2O)cc1OC
InChIInChI=1S/C16H23NO4/c1-17(12-6-4-5-7-13(12)18)16(19)11-8-9-14(20-2)15(10-11)21-3/h8-10,12-13,18H,4-7H2,1-3H3/t12-,13-/m0/s1
InChIKeyULGDIQDWVYOSOP-STQMWFEESA-N
MW293.36 g/mol
LogP2.08
Rot. Bonds4

About N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide

N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide (PubChem CID 27261505) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
PubChem CID27261505
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2O)cc1OC
InChIInChI=1S/C16H23NO4/c1-17(12-6-4-5-7-13(12)18)16(19)11-8-9-14(20-2)15(10-11)21-3/h8-10,12-13,18H,4-7H2,1-3H3/t12-,13-/m0/s1
InChIKeyULGDIQDWVYOSOP-STQMWFEESA-N
XLogP2.08
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697
N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
CID 95877860
3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631172
3-chloro-4-ethoxy-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 95875729
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide
CID 102638874
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
CID 19916383
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
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-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 122145136

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide (CID 27261505) is N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2O)cc1OC.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is ULGDIQDWVYOSOP-STQMWFEESA-N. The full InChI is InChI=1S/C16H23NO4/c1-17(12-6-4-5-7-13(12)18)16(19)11-8-9-14(20-2)15(10-11)21-3/h8-10,12-13,18H,4-7H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 293.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 27261505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).