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

C15H24N2O — CID 3311942

IUPAC3-(2,4-dimethylphenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-5-9-17(10-6-2)15(18)16-14-8-7-12(3)11-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
InChIKeyMRQMPEAFTOYAQN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.96
Rot. Bonds5

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

3-(2,4-dimethylphenyl)-1,1-dipropylurea (PubChem CID 3311942) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1,1-dipropylurea.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1,1-dipropylurea
PubChem CID3311942
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(2,4-dimethylphenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-5-9-17(10-6-2)15(18)16-14-8-7-12(3)11-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
InChIKeyMRQMPEAFTOYAQN-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.96
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-dipropylurea?
The IUPAC name of 3-(2,4-dimethylphenyl)-1,1-dipropylurea (CID 3311942) is 3-(2,4-dimethylphenyl)-1,1-dipropylurea.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1,1-dipropylurea?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1,1-dipropylurea is CCCN(CCC)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1,1-dipropylurea?
The InChIKey is MRQMPEAFTOYAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-9-17(10-6-2)15(18)16-14-8-7-12(3)11-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18).
What are the key properties of 3-(2,4-dimethylphenyl)-1,1-dipropylurea?
3-(2,4-dimethylphenyl)-1,1-dipropylurea has a molecular weight of 248.37 g/mol, XLogP of 3.96, 5 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-dipropylurea is sourced from PubChem (CID 3311942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).