1-cyclododecyl-3-(cyclopentylidenemethyl)urea

C19H34N2O — CID 108913552

IUPAC1-cyclododecyl-3-(cyclopentylidenemethyl)urea
SMILESO=C(NC=C1CCCC1)NC1CCCCCCCCCCC1
InChIInChI=1S/C19H34N2O/c22-19(20-16-17-12-10-11-13-17)21-18-14-8-6-4-2-1-3-5-7-9-15-18/h16,18H,1-15H2,(H2,20,21,22)
InChIKeyIRTXHFJKNRJSFE-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.42
Rot. Bonds2

About 1-cyclododecyl-3-(cyclopentylidenemethyl)urea

1-cyclododecyl-3-(cyclopentylidenemethyl)urea (PubChem CID 108913552) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-cyclododecyl-3-(cyclopentylidenemethyl)urea.

Molecular Properties

Compound Name1-cyclododecyl-3-(cyclopentylidenemethyl)urea
PubChem CID108913552
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name1-cyclododecyl-3-(cyclopentylidenemethyl)urea
SMILESO=C(NC=C1CCCC1)NC1CCCCCCCCCCC1
InChIInChI=1S/C19H34N2O/c22-19(20-16-17-12-10-11-13-17)21-18-14-8-6-4-2-1-3-5-7-9-15-18/h16,18H,1-15H2,(H2,20,21,22)
InChIKeyIRTXHFJKNRJSFE-UHFFFAOYSA-N
XLogP5.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-(cyclopentylidenemethyl)urea?
The IUPAC name of 1-cyclododecyl-3-(cyclopentylidenemethyl)urea (CID 108913552) is 1-cyclododecyl-3-(cyclopentylidenemethyl)urea.
What is the SMILES notation for 1-cyclododecyl-3-(cyclopentylidenemethyl)urea?
The canonical SMILES for 1-cyclododecyl-3-(cyclopentylidenemethyl)urea is O=C(NC=C1CCCC1)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-cyclododecyl-3-(cyclopentylidenemethyl)urea?
The InChIKey is IRTXHFJKNRJSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c22-19(20-16-17-12-10-11-13-17)21-18-14-8-6-4-2-1-3-5-7-9-15-18/h16,18H,1-15H2,(H2,20,21,22).
What are the key properties of 1-cyclododecyl-3-(cyclopentylidenemethyl)urea?
1-cyclododecyl-3-(cyclopentylidenemethyl)urea has a molecular weight of 306.49 g/mol, XLogP of 5.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-(cyclopentylidenemethyl)urea is sourced from PubChem (CID 108913552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).