1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea

C11H24N2O — CID 10932488

IUPAC1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCCNC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-7-12-9(14)13-11(5,6)8-10(2,3)4/h7-8H2,1-6H3,(H2,12,13,14)
InChIKeyVALXFYJUMTYLRL-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.52
Rot. Bonds3

About 1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea

1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea (PubChem CID 10932488) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea
PubChem CID10932488
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCCNC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-7-12-9(14)13-11(5,6)8-10(2,3)4/h7-8H2,1-6H3,(H2,12,13,14)
InChIKeyVALXFYJUMTYLRL-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea?
The IUPAC name of 1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea (CID 10932488) is 1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea is CCNC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea?
The InChIKey is VALXFYJUMTYLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-7-12-9(14)13-11(5,6)8-10(2,3)4/h7-8H2,1-6H3,(H2,12,13,14).
What are the key properties of 1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea?
1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea has a molecular weight of 200.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,4,4-trimethylpentan-2-yl)urea is sourced from PubChem (CID 10932488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).