N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide

C17H23NO2 — CID 71810507

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCOC(CNC(=O)C1CC=CCC1)c1ccccc1C
InChIInChI=1S/C17H23NO2/c1-13-8-6-7-11-15(13)16(20-2)12-18-17(19)14-9-4-3-5-10-14/h3-4,6-8,11,14,16H,5,9-10,12H2,1-2H3,(H,18,19)
InChIKeyOGCFURFNKCTURR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.16
Rot. Bonds5

About N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71810507) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID71810507
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCOC(CNC(=O)C1CC=CCC1)c1ccccc1C
InChIInChI=1S/C17H23NO2/c1-13-8-6-7-11-15(13)16(20-2)12-18-17(19)14-9-4-3-5-10-14/h3-4,6-8,11,14,16H,5,9-10,12H2,1-2H3,(H,18,19)
InChIKeyOGCFURFNKCTURR-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide (CID 71810507) is N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide is COC(CNC(=O)C1CC=CCC1)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is OGCFURFNKCTURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-8-6-7-11-15(13)16(20-2)12-18-17(19)14-9-4-3-5-10-14/h3-4,6-8,11,14,16H,5,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.16, 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]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71810507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).