(6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide

C18H27NO — CID 138571916

IUPAC(6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESC[C@H]1CCCC(C)(C)C1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H27NO/c1-14-8-7-12-18(2,3)16(14)17(20)19-13-11-15-9-5-4-6-10-15/h4-6,9-10,14,16H,7-8,11-13H2,1-3H3,(H,19,20)/t14-,16?/m0/s1
InChIKeyBEICMBYBCFEOBI-LBAUFKAWSA-N
MW273.42 g/mol
LogP3.81
Rot. Bonds4

About (6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide

(6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide (PubChem CID 138571916) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
PubChem CID138571916
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESC[C@H]1CCCC(C)(C)C1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H27NO/c1-14-8-7-12-18(2,3)16(14)17(20)19-13-11-15-9-5-4-6-10-15/h4-6,9-10,14,16H,7-8,11-13H2,1-3H3,(H,19,20)/t14-,16?/m0/s1
InChIKeyBEICMBYBCFEOBI-LBAUFKAWSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
CID 138571933
(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 161110122
N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
CID 158122344
trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
CID 142560535
(1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide
CID 160693339
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553
N,2,2,6-tetramethylcyclohexane-1-carboxamide
CID 66694446
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445
2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 138572207
(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235

Frequently Asked Questions

What is the IUPAC name of (6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The IUPAC name of (6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide (CID 138571916) is (6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for (6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide is C[C@H]1CCCC(C)(C)C1C(=O)NCCc1ccccc1.
What is the InChIKey of (6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The InChIKey is BEICMBYBCFEOBI-LBAUFKAWSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-8-7-12-18(2,3)16(14)17(20)19-13-11-15-9-5-4-6-10-15/h4-6,9-10,14,16H,7-8,11-13H2,1-3H3,(H,19,20)/t14-,16?/m0/s1.
What are the key properties of (6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide?
(6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 138571916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).