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

C16H23NO2 — CID 9084365

IUPAC3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1C
InChIInChI=1S/C16H23NO2/c1-11-6-4-5-7-14(11)17-16(18)13-9-8-12(2)15(10-13)19-3/h8-11,14H,4-7H2,1-3H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyYNFXCKWSZSZRGC-RISCZKNCSA-N
MW261.37 g/mol
LogP3.31
Rot. Bonds3

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

3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide (PubChem CID 9084365) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
PubChem CID9084365
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1C
InChIInChI=1S/C16H23NO2/c1-11-6-4-5-7-14(11)17-16(18)13-9-8-12(2)15(10-13)19-3/h8-11,14H,4-7H2,1-3H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyYNFXCKWSZSZRGC-RISCZKNCSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 11925391
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 11925388
4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404491
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
2-methoxy-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355726
4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2640742
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9403796
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide (CID 9084365) is 3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide is COc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The InChIKey is YNFXCKWSZSZRGC-RISCZKNCSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-6-4-5-7-14(11)17-16(18)13-9-8-12(2)15(10-13)19-3/h8-11,14H,4-7H2,1-3H3,(H,17,18)/t11-,14+/m1/s1.
What are the key properties of 3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 9084365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).