1,3-dibutyl-1,3-dimethylurea

C11H24N2O — CID 546287

IUPAC1,3-dibutyl-1,3-dimethylurea
SMILESCCCCN(C)C(=O)N(C)CCCC
InChIInChI=1S/C11H24N2O/c1-5-7-9-12(3)11(14)13(4)10-8-6-2/h5-10H2,1-4H3
InChIKeyUKFZKKOBPZBXAY-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.57
Rot. Bonds6

About 1,3-dibutyl-1,3-dimethylurea

1,3-dibutyl-1,3-dimethylurea (PubChem CID 546287) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,3-dibutyl-1,3-dimethylurea.

Molecular Properties

Compound Name1,3-dibutyl-1,3-dimethylurea
PubChem CID546287
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,3-dibutyl-1,3-dimethylurea
SMILESCCCCN(C)C(=O)N(C)CCCC
InChIInChI=1S/C11H24N2O/c1-5-7-9-12(3)11(14)13(4)10-8-6-2/h5-10H2,1-4H3
InChIKeyUKFZKKOBPZBXAY-UHFFFAOYSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-1,3-dimethylurea?
The IUPAC name of 1,3-dibutyl-1,3-dimethylurea (CID 546287) is 1,3-dibutyl-1,3-dimethylurea.
What is the SMILES notation for 1,3-dibutyl-1,3-dimethylurea?
The canonical SMILES for 1,3-dibutyl-1,3-dimethylurea is CCCCN(C)C(=O)N(C)CCCC.
What is the InChIKey of 1,3-dibutyl-1,3-dimethylurea?
The InChIKey is UKFZKKOBPZBXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-7-9-12(3)11(14)13(4)10-8-6-2/h5-10H2,1-4H3.
What are the key properties of 1,3-dibutyl-1,3-dimethylurea?
1,3-dibutyl-1,3-dimethylurea has a molecular weight of 200.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-1,3-dimethylurea is sourced from PubChem (CID 546287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).