1-cyclododecyl-3-(cyclohexylidenemethyl)urea

C20H36N2O — CID 108912488

IUPAC1-cyclododecyl-3-(cyclohexylidenemethyl)urea
SMILESO=C(NC=C1CCCCC1)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H36N2O/c23-20(21-17-18-13-9-8-10-14-18)22-19-15-11-6-4-2-1-3-5-7-12-16-19/h17,19H,1-16H2,(H2,21,22,23)
InChIKeyZAPVFVIBQQASTA-UHFFFAOYSA-N
MW320.52 g/mol
LogP5.81
Rot. Bonds2

About 1-cyclododecyl-3-(cyclohexylidenemethyl)urea

1-cyclododecyl-3-(cyclohexylidenemethyl)urea (PubChem CID 108912488) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-cyclododecyl-3-(cyclohexylidenemethyl)urea.

Molecular Properties

Compound Name1-cyclododecyl-3-(cyclohexylidenemethyl)urea
PubChem CID108912488
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name1-cyclododecyl-3-(cyclohexylidenemethyl)urea
SMILESO=C(NC=C1CCCCC1)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H36N2O/c23-20(21-17-18-13-9-8-10-14-18)22-19-15-11-6-4-2-1-3-5-7-12-16-19/h17,19H,1-16H2,(H2,21,22,23)
InChIKeyZAPVFVIBQQASTA-UHFFFAOYSA-N
XLogP5.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-(cyclohexylidenemethyl)urea?
The IUPAC name of 1-cyclododecyl-3-(cyclohexylidenemethyl)urea (CID 108912488) is 1-cyclododecyl-3-(cyclohexylidenemethyl)urea.
What is the SMILES notation for 1-cyclododecyl-3-(cyclohexylidenemethyl)urea?
The canonical SMILES for 1-cyclododecyl-3-(cyclohexylidenemethyl)urea is O=C(NC=C1CCCCC1)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-cyclododecyl-3-(cyclohexylidenemethyl)urea?
The InChIKey is ZAPVFVIBQQASTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O/c23-20(21-17-18-13-9-8-10-14-18)22-19-15-11-6-4-2-1-3-5-7-12-16-19/h17,19H,1-16H2,(H2,21,22,23).
What are the key properties of 1-cyclododecyl-3-(cyclohexylidenemethyl)urea?
1-cyclododecyl-3-(cyclohexylidenemethyl)urea has a molecular weight of 320.52 g/mol, XLogP of 5.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-(cyclohexylidenemethyl)urea is sourced from PubChem (CID 108912488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).