1-dodecyl-3-methylurea

C14H30N2O — CID 23457042

IUPAC1-dodecyl-3-methylurea
SMILESCCCCCCCCCCCCNC(=O)NC
InChIInChI=1S/C14H30N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(17)15-2/h3-13H2,1-2H3,(H2,15,16,17)
InChIKeyFIGBTDOMBRNSSW-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.84
Rot. Bonds11

About 1-dodecyl-3-methylurea

1-dodecyl-3-methylurea (PubChem CID 23457042) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-dodecyl-3-methylurea.

Molecular Properties

Compound Name1-dodecyl-3-methylurea
PubChem CID23457042
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-dodecyl-3-methylurea
SMILESCCCCCCCCCCCCNC(=O)NC
InChIInChI=1S/C14H30N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(17)15-2/h3-13H2,1-2H3,(H2,15,16,17)
InChIKeyFIGBTDOMBRNSSW-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.84
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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Related Compounds

Cycluron
CID 16554
1-Cyclohexyl-3-decyl-urea
CID 4359
Dibutylurea
CID 74523
1-Cyclohexyl-3-methylurea
CID 308344
1-Dodecyl-3-(2-methylpropyl)urea
CID 22731249
Urea, N-dodecyl-
CID 75091
N-cyclohexyl-N'-cyclooctylurea
CID 840783
1-Cyclohexyl-3-dodecylurea
CID 4437430
Heptylurea
CID 39357
Hexylurea
CID 75092
1,1'-Hexamethylenebis (3,3-dimethylurea)
CID 99644
N-Octylurea
CID 200490

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-methylurea?
The IUPAC name of 1-dodecyl-3-methylurea (CID 23457042) is 1-dodecyl-3-methylurea.
What is the SMILES notation for 1-dodecyl-3-methylurea?
The canonical SMILES for 1-dodecyl-3-methylurea is CCCCCCCCCCCCNC(=O)NC.
What is the InChIKey of 1-dodecyl-3-methylurea?
The InChIKey is FIGBTDOMBRNSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(17)15-2/h3-13H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-dodecyl-3-methylurea?
1-dodecyl-3-methylurea has a molecular weight of 242.41 g/mol, XLogP of 3.84, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-methylurea is sourced from PubChem (CID 23457042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).