1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea

C15H24N2O — CID 131211782

IUPAC1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea
SMILESCC(C)(C)C(C)(C)NC(=O)NCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-14(2,3)15(4,5)17-13(18)16-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H2,16,17,18)
InChIKeyJWGCCTZUXMYXMP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.31
Rot. Bonds3

About 1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea

1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea (PubChem CID 131211782) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea
PubChem CID131211782
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea
SMILESCC(C)(C)C(C)(C)NC(=O)NCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-14(2,3)15(4,5)17-13(18)16-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H2,16,17,18)
InChIKeyJWGCCTZUXMYXMP-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea?
The IUPAC name of 1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea (CID 131211782) is 1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea.
What is the SMILES notation for 1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea?
The canonical SMILES for 1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea is CC(C)(C)C(C)(C)NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea?
The InChIKey is JWGCCTZUXMYXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2,3)15(4,5)17-13(18)16-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea?
1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea has a molecular weight of 248.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea is sourced from PubChem (CID 131211782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).