1-cyclobutyl-3-dodecylurea

C17H34N2O — CID 11076917

IUPAC1-cyclobutyl-3-dodecylurea
SMILESCCCCCCCCCCCCNC(=O)NC1CCC1
InChIInChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-15-18-17(20)19-16-13-12-14-16/h16H,2-15H2,1H3,(H2,18,19,20)
InChIKeyVUCUDBYHFJANCK-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.76
Rot. Bonds12

About 1-cyclobutyl-3-dodecylurea

1-cyclobutyl-3-dodecylurea (PubChem CID 11076917) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-cyclobutyl-3-dodecylurea.

Molecular Properties

Compound Name1-cyclobutyl-3-dodecylurea
PubChem CID11076917
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-cyclobutyl-3-dodecylurea
SMILESCCCCCCCCCCCCNC(=O)NC1CCC1
InChIInChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-15-18-17(20)19-16-13-12-14-16/h16H,2-15H2,1H3,(H2,18,19,20)
InChIKeyVUCUDBYHFJANCK-UHFFFAOYSA-N
XLogP4.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.76
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-cyclobutyl-3-dodecylurea?
The IUPAC name of 1-cyclobutyl-3-dodecylurea (CID 11076917) is 1-cyclobutyl-3-dodecylurea.
What is the SMILES notation for 1-cyclobutyl-3-dodecylurea?
The canonical SMILES for 1-cyclobutyl-3-dodecylurea is CCCCCCCCCCCCNC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-dodecylurea?
The InChIKey is VUCUDBYHFJANCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-15-18-17(20)19-16-13-12-14-16/h16H,2-15H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclobutyl-3-dodecylurea?
1-cyclobutyl-3-dodecylurea has a molecular weight of 282.47 g/mol, XLogP of 4.76, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-dodecylurea is sourced from PubChem (CID 11076917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).