N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide

C16H23NO2 — CID 104957100

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N[C@H]2CCCC[C@@H]2O)c(C)c1
InChIInChI=1S/C16H23NO2/c1-10-8-11(2)15(12(3)9-10)16(19)17-13-6-4-5-7-14(13)18/h8-9,13-14,18H,4-7H2,1-3H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyJBPRLFOTTIHIAT-KBPBESRZSA-N
MW261.37 g/mol
LogP2.65
Rot. Bonds2

About N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide (PubChem CID 104957100) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
PubChem CID104957100
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N[C@H]2CCCC[C@@H]2O)c(C)c1
InChIInChI=1S/C16H23NO2/c1-10-8-11(2)15(12(3)9-10)16(19)17-13-6-4-5-7-14(13)18/h8-9,13-14,18H,4-7H2,1-3H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyJBPRLFOTTIHIAT-KBPBESRZSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 102739213
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,4,6-trimethylbenzamide
CID 155915781
5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102705498
3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide
CID 99636900
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218
N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104927899

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide (CID 104957100) is N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)N[C@H]2CCCC[C@@H]2O)c(C)c1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide?
The InChIKey is JBPRLFOTTIHIAT-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-8-11(2)15(12(3)9-10)16(19)17-13-6-4-5-7-14(13)18/h8-9,13-14,18H,4-7H2,1-3H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 104957100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).