1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea

C15H24N2O — CID 2326346

IUPAC1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea
SMILESCCN(CC)C(=O)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-6-17(7-2)15(18)16-10-14-12(4)8-11(3)9-13(14)5/h8-9H,6-7,10H2,1-5H3,(H,16,18)
InChIKeyUMPUFTTURQAMDR-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.16
Rot. Bonds4

About 1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea

1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea (PubChem CID 2326346) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea
PubChem CID2326346
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea
SMILESCCN(CC)C(=O)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-6-17(7-2)15(18)16-10-14-12(4)8-11(3)9-13(14)5/h8-9H,6-7,10H2,1-5H3,(H,16,18)
InChIKeyUMPUFTTURQAMDR-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea?
The IUPAC name of 1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea (CID 2326346) is 1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea is CCN(CC)C(=O)NCc1c(C)cc(C)cc1C.
What is the InChIKey of 1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea?
The InChIKey is UMPUFTTURQAMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-17(7-2)15(18)16-10-14-12(4)8-11(3)9-13(14)5/h8-9H,6-7,10H2,1-5H3,(H,16,18).
What are the key properties of 1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea?
1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea has a molecular weight of 248.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea is sourced from PubChem (CID 2326346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).