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

C16H23NO3 — CID 40793133

IUPAC2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-11-6-4-5-7-14(11)17-16(18)13-9-8-12(19-2)10-15(13)20-3/h8-11,14H,4-7H2,1-3H3,(H,17,18)/t11-,14+/m1/s1
InChIKeySVGAUMBTHRCBIT-RISCZKNCSA-N
MW277.36 g/mol
LogP3.01
Rot. Bonds4

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

2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide (PubChem CID 40793133) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
PubChem CID40793133
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-11-6-4-5-7-14(11)17-16(18)13-9-8-12(19-2)10-15(13)20-3/h8-11,14H,4-7H2,1-3H3,(H,17,18)/t11-,14+/m1/s1
InChIKeySVGAUMBTHRCBIT-RISCZKNCSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452
2,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326134
2-amino-4-methoxy-N-(2-methylcyclopentyl)benzamide
CID 115413242
2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
CID 124516888
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831
N'-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)oxamide
CID 3220604
6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
CID 2964707
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115368666

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide (CID 40793133) is 2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide is COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The InChIKey is SVGAUMBTHRCBIT-RISCZKNCSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-6-4-5-7-14(11)17-16(18)13-9-8-12(19-2)10-15(13)20-3/h8-11,14H,4-7H2,1-3H3,(H,17,18)/t11-,14+/m1/s1.
What are the key properties of 2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide has a molecular weight of 277.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 40793133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).