1-methyl-3-(11-methyldodecyl)urea

C15H32N2O — CID 91937241

IUPAC1-methyl-3-(11-methyldodecyl)urea
SMILESCNC(=O)NCCCCCCCCCCC(C)C
InChIInChI=1S/C15H32N2O/c1-14(2)12-10-8-6-4-5-7-9-11-13-17-15(18)16-3/h14H,4-13H2,1-3H3,(H2,16,17,18)
InChIKeyHMDKZAQDGOUJNP-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.08
Rot. Bonds11

About 1-methyl-3-(11-methyldodecyl)urea

1-methyl-3-(11-methyldodecyl)urea (PubChem CID 91937241) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-methyl-3-(11-methyldodecyl)urea.

Molecular Properties

Compound Name1-methyl-3-(11-methyldodecyl)urea
PubChem CID91937241
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-methyl-3-(11-methyldodecyl)urea
SMILESCNC(=O)NCCCCCCCCCCC(C)C
InChIInChI=1S/C15H32N2O/c1-14(2)12-10-8-6-4-5-7-9-11-13-17-15(18)16-3/h14H,4-13H2,1-3H3,(H2,16,17,18)
InChIKeyHMDKZAQDGOUJNP-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.08
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-methyl-3-(11-methyldodecyl)urea?
The IUPAC name of 1-methyl-3-(11-methyldodecyl)urea (CID 91937241) is 1-methyl-3-(11-methyldodecyl)urea.
What is the SMILES notation for 1-methyl-3-(11-methyldodecyl)urea?
The canonical SMILES for 1-methyl-3-(11-methyldodecyl)urea is CNC(=O)NCCCCCCCCCCC(C)C.
What is the InChIKey of 1-methyl-3-(11-methyldodecyl)urea?
The InChIKey is HMDKZAQDGOUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-14(2)12-10-8-6-4-5-7-9-11-13-17-15(18)16-3/h14H,4-13H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-methyl-3-(11-methyldodecyl)urea?
1-methyl-3-(11-methyldodecyl)urea has a molecular weight of 256.43 g/mol, XLogP of 4.08, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(11-methyldodecyl)urea is sourced from PubChem (CID 91937241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).