3-(2,4-dimethylphenyl)-1,1-diethylurea

C13H20N2O — CID 4548329

IUPAC3-(2,4-dimethylphenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C13H20N2O/c1-5-15(6-2)13(16)14-12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3,(H,14,16)
InChIKeyOCDMFHDZLCUTRE-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.18
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-1,1-diethylurea

3-(2,4-dimethylphenyl)-1,1-diethylurea (PubChem CID 4548329) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1,1-diethylurea
PubChem CID4548329
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(2,4-dimethylphenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C13H20N2O/c1-5-15(6-2)13(16)14-12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3,(H,14,16)
InChIKeyOCDMFHDZLCUTRE-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1,1-diethylurea?
The IUPAC name of 3-(2,4-dimethylphenyl)-1,1-diethylurea (CID 4548329) is 3-(2,4-dimethylphenyl)-1,1-diethylurea.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1,1-diethylurea?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1,1-diethylurea is CCN(CC)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1,1-diethylurea?
The InChIKey is OCDMFHDZLCUTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-15(6-2)13(16)14-12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3,(H,14,16).
What are the key properties of 3-(2,4-dimethylphenyl)-1,1-diethylurea?
3-(2,4-dimethylphenyl)-1,1-diethylurea has a molecular weight of 220.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1,1-diethylurea is sourced from PubChem (CID 4548329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).