1-dodecyl-3-(2-methylpropyl)urea

C17H36N2O — CID 22731249

IUPAC1-dodecyl-3-(2-methylpropyl)urea
SMILESCCCCCCCCCCCCNC(=O)NCC(C)C
InChIInChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-17(20)19-15-16(2)3/h16H,4-15H2,1-3H3,(H2,18,19,20)
InChIKeyHGTRBFPUIYNGIF-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.86
Rot. Bonds13

About 1-dodecyl-3-(2-methylpropyl)urea

1-dodecyl-3-(2-methylpropyl)urea (PubChem CID 22731249) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-dodecyl-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-dodecyl-3-(2-methylpropyl)urea
PubChem CID22731249
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-dodecyl-3-(2-methylpropyl)urea
SMILESCCCCCCCCCCCCNC(=O)NCC(C)C
InChIInChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-17(20)19-15-16(2)3/h16H,4-15H2,1-3H3,(H2,18,19,20)
InChIKeyHGTRBFPUIYNGIF-UHFFFAOYSA-N
XLogP4.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.86
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-dodecyl-3-(2-methylpropyl)urea?
The IUPAC name of 1-dodecyl-3-(2-methylpropyl)urea (CID 22731249) is 1-dodecyl-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-dodecyl-3-(2-methylpropyl)urea?
The canonical SMILES for 1-dodecyl-3-(2-methylpropyl)urea is CCCCCCCCCCCCNC(=O)NCC(C)C.
What is the InChIKey of 1-dodecyl-3-(2-methylpropyl)urea?
The InChIKey is HGTRBFPUIYNGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-17(20)19-15-16(2)3/h16H,4-15H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-dodecyl-3-(2-methylpropyl)urea?
1-dodecyl-3-(2-methylpropyl)urea has a molecular weight of 284.49 g/mol, XLogP of 4.86, 13 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-(2-methylpropyl)urea is sourced from PubChem (CID 22731249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).