2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide

C18H21N3O3 — CID 7963924

IUPAC2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
SMILESN#Cc1cccc(OCC(=O)NC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H21N3O3/c19-12-15-7-4-8-16(11-15)24-13-17(22)21-18(23)20-10-9-14-5-2-1-3-6-14/h4-5,7-8,11H,1-3,6,9-10,13H2,(H2,20,21,22,23)
InChIKeyBSRKGBNGQLMGLN-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.65
Rot. Bonds6

About 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide

2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide (PubChem CID 7963924) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
PubChem CID7963924
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
SMILESN#Cc1cccc(OCC(=O)NC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H21N3O3/c19-12-15-7-4-8-16(11-15)24-13-17(22)21-18(23)20-10-9-14-5-2-1-3-6-14/h4-5,7-8,11H,1-3,6,9-10,13H2,(H2,20,21,22,23)
InChIKeyBSRKGBNGQLMGLN-UHFFFAOYSA-N
XLogP2.65
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 4819958
methyl 4-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethoxy]benzoate
CID 7965089
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-2-(3-methylphenoxy)acetamide
CID 4635152
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 18225951
2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2706736
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide
CID 37274996
2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112778726
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
CID 60577328

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide (CID 7963924) is 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide is N#Cc1cccc(OCC(=O)NC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide?
The InChIKey is BSRKGBNGQLMGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-12-15-7-4-8-16(11-15)24-13-17(22)21-18(23)20-10-9-14-5-2-1-3-6-14/h4-5,7-8,11H,1-3,6,9-10,13H2,(H2,20,21,22,23).
What are the key properties of 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide?
2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide is sourced from PubChem (CID 7963924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).