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

C18H22N2O2 — CID 7382518

IUPAC(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESC[C@H](Oc1ccccc1C#N)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H22N2O2/c1-14(22-17-10-6-5-9-16(17)13-19)18(21)20-12-11-15-7-3-2-4-8-15/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyUGTHEGGKHNBOIN-AWEZNQCLSA-N
MW298.39 g/mol
LogP3.33
Rot. Bonds6

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

(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 7382518) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID7382518
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESC[C@H](Oc1ccccc1C#N)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H22N2O2/c1-14(22-17-10-6-5-9-16(17)13-19)18(21)20-12-11-15-7-3-2-4-8-15/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyUGTHEGGKHNBOIN-AWEZNQCLSA-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

2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112777989
2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2706736
(2R)-2-(4-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7503312
2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 4819958
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
(2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7653002
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 18078141
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92684033
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 7382518) is (2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is C[C@H](Oc1ccccc1C#N)C(=O)NCCC1=CCCCC1.
What is the InChIKey of (2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is UGTHEGGKHNBOIN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(22-17-10-6-5-9-16(17)13-19)18(21)20-12-11-15-7-3-2-4-8-15/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
(2S)-2-(2-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 (2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 7382518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).