2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide

C17H25NO4 — CID 8023831

IUPAC2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)c(OC)c1OC
InChIInChI=1S/C17H25NO4/c1-11-7-5-6-8-13(11)18-17(19)12-9-10-14(20-2)16(22-4)15(12)21-3/h9-11,13H,5-8H2,1-4H3,(H,18,19)/t11-,13+/m1/s1
InChIKeyQQNOQZHTSVRVFT-YPMHNXCESA-N
MW307.39 g/mol
LogP3.02
Rot. Bonds5

About 2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide

2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide (PubChem CID 8023831) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
PubChem CID8023831
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)c(OC)c1OC
InChIInChI=1S/C17H25NO4/c1-11-7-5-6-8-13(11)18-17(19)12-9-10-14(20-2)16(22-4)15(12)21-3/h9-11,13H,5-8H2,1-4H3,(H,18,19)/t11-,13+/m1/s1
InChIKeyQQNOQZHTSVRVFT-YPMHNXCESA-N
XLogP3.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide
CID 106443653
2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120558034
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8611579
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
(E)-3-(2,3-dimethoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 8004597
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9403796
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
CID 119457461
2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide (CID 8023831) is 2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide is COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The InChIKey is QQNOQZHTSVRVFT-YPMHNXCESA-N. The full InChI is InChI=1S/C17H25NO4/c1-11-7-5-6-8-13(11)18-17(19)12-9-10-14(20-2)16(22-4)15(12)21-3/h9-11,13H,5-8H2,1-4H3,(H,18,19)/t11-,13+/m1/s1.
What are the key properties of 2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide has a molecular weight of 307.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 8023831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).