N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide

C25H33NO2 — CID 155140136

IUPACN-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2C(C)CCCC2(C)C)c2ccccc2)cc1
InChIInChI=1S/C25H33NO2/c1-18-9-8-16-25(2,3)23(18)24(27)26-17-22(19-10-6-5-7-11-19)20-12-14-21(28-4)15-13-20/h5-7,10-15,18,22-23H,8-9,16-17H2,1-4H3,(H,26,27)
InChIKeyZRZMMIZDNHCMAK-UHFFFAOYSA-N
MW379.54 g/mol
LogP5.41
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide

N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide (PubChem CID 155140136) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
PubChem CID155140136
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC NameN-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2C(C)CCCC2(C)C)c2ccccc2)cc1
InChIInChI=1S/C25H33NO2/c1-18-9-8-16-25(2,3)23(18)24(27)26-17-22(19-10-6-5-7-11-19)20-12-14-21(28-4)15-13-20/h5-7,10-15,18,22-23H,8-9,16-17H2,1-4H3,(H,26,27)
InChIKeyZRZMMIZDNHCMAK-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

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-(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
S-[2-(4-methoxyphenyl)ethyl] 2,2,6-trimethylcyclohexane-1-carbothioate
CID 138572000
cis-(1S,3R)-3-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122099543
3-[(2,2-dimethylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175424
N-[2-(furan-2-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
CID 138571933
trans-(1S,3S)-3-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 98760042
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide (CID 155140136) is N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide is COc1ccc(C(CNC(=O)C2C(C)CCCC2(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
The InChIKey is ZRZMMIZDNHCMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-18-9-8-16-25(2,3)23(18)24(27)26-17-22(19-10-6-5-7-11-19)20-12-14-21(28-4)15-13-20/h5-7,10-15,18,22-23H,8-9,16-17H2,1-4H3,(H,26,27).
What are the key properties of N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide has a molecular weight of 379.54 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 155140136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).