N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide

C17H25NO2 — CID 90598682

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
SMILESCOC(CNC(=O)C1CCCCC1)c1ccccc1C
InChIInChI=1S/C17H25NO2/c1-13-8-6-7-11-15(13)16(20-2)12-18-17(19)14-9-4-3-5-10-14/h6-8,11,14,16H,3-5,9-10,12H2,1-2H3,(H,18,19)
InChIKeyQJCGRFSSTKFYJE-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.38
Rot. Bonds5

About N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide (PubChem CID 90598682) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
PubChem CID90598682
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
SMILESCOC(CNC(=O)C1CCCCC1)c1ccccc1C
InChIInChI=1S/C17H25NO2/c1-13-8-6-7-11-15(13)16(20-2)12-18-17(19)14-9-4-3-5-10-14/h6-8,11,14,16H,3-5,9-10,12H2,1-2H3,(H,18,19)
InChIKeyQJCGRFSSTKFYJE-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598691
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
N'-cyclopropyl-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 71810552
(1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide
CID 99592280
N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111120078
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 90598675
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417892
N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide
CID 111119935
N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
CID 90623941

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide (CID 90598682) is N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide is COC(CNC(=O)C1CCCCC1)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide?
The InChIKey is QJCGRFSSTKFYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-8-6-7-11-15(13)16(20-2)12-18-17(19)14-9-4-3-5-10-14/h6-8,11,14,16H,3-5,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide has a molecular weight of 275.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 90598682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).