3-dodecyl-1,1-dimethylurea

C15H32N2O — CID 154348901

IUPAC3-dodecyl-1,1-dimethylurea
SMILESCCCCCCCCCCCCNC(=O)N(C)C
InChIInChI=1S/C15H32N2O/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(18)17(2)3/h4-14H2,1-3H3,(H,16,18)
InChIKeyIJUHNPYSKPPWOG-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.18
Rot. Bonds11

About 3-dodecyl-1,1-dimethylurea

3-dodecyl-1,1-dimethylurea (PubChem CID 154348901) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-dodecyl-1,1-dimethylurea.

Molecular Properties

Compound Name3-dodecyl-1,1-dimethylurea
PubChem CID154348901
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-dodecyl-1,1-dimethylurea
SMILESCCCCCCCCCCCCNC(=O)N(C)C
InChIInChI=1S/C15H32N2O/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(18)17(2)3/h4-14H2,1-3H3,(H,16,18)
InChIKeyIJUHNPYSKPPWOG-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
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 3-dodecyl-1,1-dimethylurea?
The IUPAC name of 3-dodecyl-1,1-dimethylurea (CID 154348901) is 3-dodecyl-1,1-dimethylurea.
What is the SMILES notation for 3-dodecyl-1,1-dimethylurea?
The canonical SMILES for 3-dodecyl-1,1-dimethylurea is CCCCCCCCCCCCNC(=O)N(C)C.
What is the InChIKey of 3-dodecyl-1,1-dimethylurea?
The InChIKey is IJUHNPYSKPPWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(18)17(2)3/h4-14H2,1-3H3,(H,16,18).
What are the key properties of 3-dodecyl-1,1-dimethylurea?
3-dodecyl-1,1-dimethylurea has a molecular weight of 256.43 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-1,1-dimethylurea is sourced from PubChem (CID 154348901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).