1-cyclododecyl-3-propylurea

C16H32N2O — CID 11832421

IUPAC1-cyclododecyl-3-propylurea
SMILESCCCNC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C16H32N2O/c1-2-14-17-16(19)18-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3,(H2,17,18,19)
InChIKeyOIRZBBIIIHNGNF-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.37
Rot. Bonds3

About 1-cyclododecyl-3-propylurea

1-cyclododecyl-3-propylurea (PubChem CID 11832421) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-cyclododecyl-3-propylurea.

Molecular Properties

Compound Name1-cyclododecyl-3-propylurea
PubChem CID11832421
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-cyclododecyl-3-propylurea
SMILESCCCNC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C16H32N2O/c1-2-14-17-16(19)18-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3,(H2,17,18,19)
InChIKeyOIRZBBIIIHNGNF-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-propylurea?
The IUPAC name of 1-cyclododecyl-3-propylurea (CID 11832421) is 1-cyclododecyl-3-propylurea.
What is the SMILES notation for 1-cyclododecyl-3-propylurea?
The canonical SMILES for 1-cyclododecyl-3-propylurea is CCCNC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-cyclododecyl-3-propylurea?
The InChIKey is OIRZBBIIIHNGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-14-17-16(19)18-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclododecyl-3-propylurea?
1-cyclododecyl-3-propylurea has a molecular weight of 268.44 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-propylurea is sourced from PubChem (CID 11832421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).