1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea

C17H24N2O — CID 4995212

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H24N2O/c1-13-7-6-8-14(2)16(13)19-17(20)18-12-11-15-9-4-3-5-10-15/h6-9H,3-5,10-12H2,1-2H3,(H2,18,19,20)
InChIKeyUWSAVXHZFKYXPS-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.32
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea

1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea (PubChem CID 4995212) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
PubChem CID4995212
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H24N2O/c1-13-7-6-8-14(2)16(13)19-17(20)18-12-11-15-9-4-3-5-10-15/h6-9H,3-5,10-12H2,1-2H3,(H2,18,19,20)
InChIKeyUWSAVXHZFKYXPS-UHFFFAOYSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
CID 109014890
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(2,6-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103351
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea
CID 3433248
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
CID 54819191
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 60547483
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
CID 47802697
1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 60577294
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108959365
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435209
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea
CID 3772878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea (CID 4995212) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea?
The InChIKey is UWSAVXHZFKYXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-7-6-8-14(2)16(13)19-17(20)18-12-11-15-9-4-3-5-10-15/h6-9H,3-5,10-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea has a molecular weight of 272.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 4995212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).