N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide

C23H27NO2 — CID 4951754

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C23H27NO2/c1-18(23(25)24-17-16-19-8-4-2-5-9-19)26-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h3,6-8,10-15,18H,2,4-5,9,16-17H2,1H3,(H,24,25)
InChIKeyYKADBUKXJSBCTC-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.13
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide (PubChem CID 4951754) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
PubChem CID4951754
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C23H27NO2/c1-18(23(25)24-17-16-19-8-4-2-5-9-19)26-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h3,6-8,10-15,18H,2,4-5,9,16-17H2,1H3,(H,24,25)
InChIKeyYKADBUKXJSBCTC-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
(2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7653002
(2R)-2-(4-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7503312
ethyl 4-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 7471627
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806
2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112777989
2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 4819958
(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 7211569
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477025

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide (CID 4951754) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide?
The InChIKey is YKADBUKXJSBCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-18(23(25)24-17-16-19-8-4-2-5-9-19)26-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h3,6-8,10-15,18H,2,4-5,9,16-17H2,1H3,(H,24,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide has a molecular weight of 349.47 g/mol, XLogP of 5.13, 7 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-phenylphenoxy)propanamide is sourced from PubChem (CID 4951754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).