trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide

C18H27NO2 — CID 142560535

IUPACtrans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
SMILESC[C@H]1CCCC(C)(C)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-13-8-7-11-18(2,3)16(13)17(21)19-12-15(20)14-9-5-4-6-10-14/h4-6,9-10,13,15-16,20H,7-8,11-12H2,1-3H3,(H,19,21)/t13-,15+,16-/m0/s1
InChIKeyRPRNSZAYSVEIRY-IMJJTQAJSA-N
MW289.42 g/mol
LogP3.30
Rot. Bonds4

About trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide

trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide (PubChem CID 142560535) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
PubChem CID142560535
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nametrans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
SMILESC[C@H]1CCCC(C)(C)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-13-8-7-11-18(2,3)16(13)17(21)19-12-15(20)14-9-5-4-6-10-14/h4-6,9-10,13,15-16,20H,7-8,11-12H2,1-3H3,(H,19,21)/t13-,15+,16-/m0/s1
InChIKeyRPRNSZAYSVEIRY-IMJJTQAJSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

(1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide
CID 160693339
N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
CID 155140136
(6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 138571916
trans-(2-hydroxy-2-phenylethyl) (1R,6S)-2,2,6-trimethylcyclohexane-1-carboxylate
CID 138572011
trans-[(2S)-2-hydroxy-2-phenylethyl] (1R,6S)-2,2,6-trimethylcyclohexane-1-carboxylate
CID 138572158
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N,2,2,6-tetramethylcyclohexane-1-carboxamide
CID 66694446
3-[(2,2-dimethylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175424
(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 161110122
N-[2-(furan-2-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
CID 138571933
N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
CID 158122344
2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950

Frequently Asked Questions

What is the IUPAC name of trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide (CID 142560535) is trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide is C[C@H]1CCCC(C)(C)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1.
What is the InChIKey of trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
The InChIKey is RPRNSZAYSVEIRY-IMJJTQAJSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-8-7-11-18(2,3)16(13)17(21)19-12-15(20)14-9-5-4-6-10-14/h4-6,9-10,13,15-16,20H,7-8,11-12H2,1-3H3,(H,19,21)/t13-,15+,16-/m0/s1.
What are the key properties of trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 142560535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).