1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea

C18H24N2O2 — CID 60577328

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H24N2O2/c1-2-13-22-17-10-6-9-16(14-17)20-18(21)19-12-11-15-7-4-3-5-8-15/h2,6-7,9-10,14H,1,3-5,8,11-13H2,(H2,19,20,21)
InChIKeyJJPMOBXYBRKZNB-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.26
Rot. Bonds7

About 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea

1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea (PubChem CID 60577328) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
PubChem CID60577328
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H24N2O2/c1-2-13-22-17-10-6-9-16(14-17)20-18(21)19-12-11-15-7-4-3-5-8-15/h2,6-7,9-10,14H,1,3-5,8,11-13H2,(H2,19,20,21)
InChIKeyJJPMOBXYBRKZNB-UHFFFAOYSA-N
XLogP4.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100602132
1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
CID 60576890
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 2140693
1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea
CID 4000468
3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide
CID 109014919
1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea
CID 60600945
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide
CID 54829291
1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 3399820
2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
CID 7963924
N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 108984198
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-2-(3-methylphenoxy)acetamide
CID 4635152

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea (CID 60577328) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea is C=CCOc1cccc(NC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea?
The InChIKey is JJPMOBXYBRKZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-13-22-17-10-6-9-16(14-17)20-18(21)19-12-11-15-7-4-3-5-8-15/h2,6-7,9-10,14H,1,3-5,8,11-13H2,(H2,19,20,21).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea has a molecular weight of 300.40 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea is sourced from PubChem (CID 60577328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).