N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide

C17H23NO2 — CID 3837694

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C17H23NO2/c1-20-16(15-10-6-3-7-11-15)17(19)18-13-12-14-8-4-2-5-9-14/h3,6-8,10-11,16H,2,4-5,9,12-13H2,1H3,(H,18,19)
InChIKeyXZXMQGIKPGKHTK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide (PubChem CID 3837694) 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-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide
PubChem CID3837694
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C17H23NO2/c1-20-16(15-10-6-3-7-11-15)17(19)18-13-12-14-8-4-2-5-9-14/h3,6-8,10-11,16H,2,4-5,9,12-13H2,1H3,(H,18,19)
InChIKeyXZXMQGIKPGKHTK-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-6-phenyl-3-morpholinone
CID 21789
N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
2-Fluorobenzyl 2-[(2-phenylacetyl)amino]acetate
CID 1262752
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] benzoate
CID 3947743
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
D-erythro-MAPP
CID 124735
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
CID 9980795

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide (CID 3837694) is N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide is COC(C(=O)NCCC1=CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide?
The InChIKey is XZXMQGIKPGKHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-16(15-10-6-3-7-11-15)17(19)18-13-12-14-8-4-2-5-9-14/h3,6-8,10-11,16H,2,4-5,9,12-13H2,1H3,(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-2-phenylacetamide has a molecular weight of 273.38 g/mol, XLogP of 3.38, 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-methoxy-2-phenylacetamide is sourced from PubChem (CID 3837694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).