1,3-dicyclohexyl-1-prop-2-enylurea

C16H28N2O — CID 134811561

IUPAC1,3-dicyclohexyl-1-prop-2-enylurea
SMILESC=CCN(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O/c1-2-13-18(15-11-7-4-8-12-15)16(19)17-14-9-5-3-6-10-14/h2,14-15H,1,3-13H2,(H,17,19)
InChIKeyLKCXWGFGXLXUJW-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.85
Rot. Bonds4

About 1,3-dicyclohexyl-1-prop-2-enylurea

1,3-dicyclohexyl-1-prop-2-enylurea (PubChem CID 134811561) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1,3-dicyclohexyl-1-prop-2-enylurea.

Molecular Properties

Compound Name1,3-dicyclohexyl-1-prop-2-enylurea
PubChem CID134811561
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1,3-dicyclohexyl-1-prop-2-enylurea
SMILESC=CCN(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O/c1-2-13-18(15-11-7-4-8-12-15)16(19)17-14-9-5-3-6-10-14/h2,14-15H,1,3-13H2,(H,17,19)
InChIKeyLKCXWGFGXLXUJW-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexyl-1,1-bis(prop-2-enyl)urea
CID 853663
N-Cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide
CID 14644433
3-(2-Chloroethyl)-1-cyclohexyl-1-prop-2-enylurea
CID 44315783
1-Allyl-3-cyclohexylurea
CID 5062476
3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea
CID 126790716
1,1-Dicyclohexyl-3-propylurea
CID 19169939
3-Butyl-1-cyclohexyl-1-prop-2-enylurea
CID 20497884
1-Cyclohexyl-1-prop-2-enyl-3-propylurea
CID 20497885
1-Cyclohexyl-3-methyl-1-prop-2-enylurea
CID 20497887
1,3-Dicyclohexyl-1-propan-2-ylurea
CID 60052236
1-Cyclohexyl-1-prop-2-enylurea
CID 69246696
(2R)-2-ethyl-N-prop-2-enylpiperidine-1-carboxamide
CID 90161894

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-1-prop-2-enylurea?
The IUPAC name of 1,3-dicyclohexyl-1-prop-2-enylurea (CID 134811561) is 1,3-dicyclohexyl-1-prop-2-enylurea.
What is the SMILES notation for 1,3-dicyclohexyl-1-prop-2-enylurea?
The canonical SMILES for 1,3-dicyclohexyl-1-prop-2-enylurea is C=CCN(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-1-prop-2-enylurea?
The InChIKey is LKCXWGFGXLXUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-13-18(15-11-7-4-8-12-15)16(19)17-14-9-5-3-6-10-14/h2,14-15H,1,3-13H2,(H,17,19).
What are the key properties of 1,3-dicyclohexyl-1-prop-2-enylurea?
1,3-dicyclohexyl-1-prop-2-enylurea has a molecular weight of 264.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-1-prop-2-enylurea is sourced from PubChem (CID 134811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).