N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide

C16H23NO2 — CID 51665263

IUPACN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1
InChIInChI=1S/C16H23NO2/c1-11-5-4-6-15(12(11)2)17-16(18)13-7-9-14(19-3)10-8-13/h7-12,15H,4-6H2,1-3H3,(H,17,18)/t11-,12+,15+/m0/s1
InChIKeyCYQWYISVKCJETE-YWPYICTPSA-N
MW261.37 g/mol
LogP3.25
Rot. Bonds3

About N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide (PubChem CID 51665263) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
PubChem CID51665263
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1
InChIInChI=1S/C16H23NO2/c1-11-5-4-6-15(12(11)2)17-16(18)13-7-9-14(19-3)10-8-13/h7-12,15H,4-6H2,1-3H3,(H,17,18)/t11-,12+,15+/m0/s1
InChIKeyCYQWYISVKCJETE-YWPYICTPSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 93050560
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
CID 26797148
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
CID 59811280
N-[[4-[(2,3-dimethylcyclohexyl)carbamoyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23769204
4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide
CID 11919951

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide?
The IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide (CID 51665263) is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1.
What is the InChIKey of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide?
The InChIKey is CYQWYISVKCJETE-YWPYICTPSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-5-4-6-15(12(11)2)17-16(18)13-7-9-14(19-3)10-8-13/h7-12,15H,4-6H2,1-3H3,(H,17,18)/t11-,12+,15+/m0/s1.
What are the key properties of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide?
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide has a molecular weight of 261.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide is sourced from PubChem (CID 51665263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).