1-cyclohexyl-3-nonylurea

C16H32N2O — CID 4105301

IUPAC1-cyclohexyl-3-nonylurea
SMILESCCCCCCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-11-14-17-16(19)18-15-12-9-8-10-13-15/h15H,2-14H2,1H3,(H2,17,18,19)
InChIKeyFXEXDEQSVSVACX-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.37
Rot. Bonds9

About 1-cyclohexyl-3-nonylurea

1-cyclohexyl-3-nonylurea (PubChem CID 4105301) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-nonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-nonylurea
PubChem CID4105301
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-cyclohexyl-3-nonylurea
SMILESCCCCCCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-11-14-17-16(19)18-15-12-9-8-10-13-15/h15H,2-14H2,1H3,(H2,17,18,19)
InChIKeyFXEXDEQSVSVACX-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-nonylurea?
The IUPAC name of 1-cyclohexyl-3-nonylurea (CID 4105301) is 1-cyclohexyl-3-nonylurea.
What is the SMILES notation for 1-cyclohexyl-3-nonylurea?
The canonical SMILES for 1-cyclohexyl-3-nonylurea is CCCCCCCCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-nonylurea?
The InChIKey is FXEXDEQSVSVACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-3-4-5-6-7-11-14-17-16(19)18-15-12-9-8-10-13-15/h15H,2-14H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-nonylurea?
1-cyclohexyl-3-nonylurea has a molecular weight of 268.44 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-nonylurea is sourced from PubChem (CID 4105301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).