N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide

C17H23NO2 — CID 703658

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-20-16-9-7-15(8-10-16)13-17(19)18-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-13H2,1H3,(H,18,19)
InChIKeyQIXKSRMRGXDDEH-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 703658) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID703658
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-20-16-9-7-15(8-10-16)13-17(19)18-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-13H2,1H3,(H,18,19)
InChIKeyQIXKSRMRGXDDEH-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.24
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-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide (CID 703658) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is QIXKSRMRGXDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-16-9-7-15(8-10-16)13-17(19)18-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-13H2,1H3,(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 273.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 703658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).