2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C18H22N2O2 — CID 4819958

IUPAC2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H22N2O2/c1-14(22-17-9-5-8-16(12-17)13-19)18(21)20-11-10-15-6-3-2-4-7-15/h5-6,8-9,12,14H,2-4,7,10-11H2,1H3,(H,20,21)
InChIKeyDTOPXSFCZKGVOE-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.33
Rot. Bonds6

About 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 4819958) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID4819958
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H22N2O2/c1-14(22-17-9-5-8-16(12-17)13-19)18(21)20-11-10-15-6-3-2-4-7-15/h5-6,8-9,12,14H,2-4,7,10-11H2,1H3,(H,20,21)
InChIKeyDTOPXSFCZKGVOE-UHFFFAOYSA-N
XLogP3.33
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7503312
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806
(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
CID 7963924
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754
(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 7964302
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7978117
[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 17474059
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112777989
ethyl 4-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 7471627

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 4819958) is 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is CC(Oc1cccc(C#N)c1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is DTOPXSFCZKGVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(22-17-9-5-8-16(12-17)13-19)18(21)20-11-10-15-6-3-2-4-7-15/h5-6,8-9,12,14H,2-4,7,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 4819958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).