(1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide

C18H27NO2 — CID 160693339

IUPAC(1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(C)(C)[C@H]1C(=O)NCC(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-/m1/s1
InChIKeyRPRNSZAYSVEIRY-AVVWSFFYSA-N
MW289.42 g/mol
LogP3.30
Rot. Bonds4

About (1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide

(1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide (PubChem CID 160693339) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide
PubChem CID160693339
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(C)(C)[C@H]1C(=O)NCC(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-/m1/s1
InChIKeyRPRNSZAYSVEIRY-AVVWSFFYSA-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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide?
The IUPAC name of (1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide (CID 160693339) is (1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for (1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for (1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide is CC1CCCC(C)(C)[C@H]1C(=O)NCC(O)c1ccccc1.
What is the InChIKey of (1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide?
The InChIKey is RPRNSZAYSVEIRY-AVVWSFFYSA-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-/m1/s1.
What are the key properties of (1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide?
(1S)-N-(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 (1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 160693339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).