1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea

C11H24N2O3 — CID 13172179

IUPAC1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea
SMILESCOC(NC(=O)NC(C)(C)C)C(C)(C)OC
InChIInChI=1S/C11H24N2O3/c1-10(2,3)13-9(14)12-8(15-6)11(4,5)16-7/h8H,1-7H3,(H2,12,13,14)
InChIKeyYREQWXDMDSAYDK-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.48
Rot. Bonds4

About 1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea

1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea (PubChem CID 13172179) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea
PubChem CID13172179
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea
SMILESCOC(NC(=O)NC(C)(C)C)C(C)(C)OC
InChIInChI=1S/C11H24N2O3/c1-10(2,3)13-9(14)12-8(15-6)11(4,5)16-7/h8H,1-7H3,(H2,12,13,14)
InChIKeyYREQWXDMDSAYDK-UHFFFAOYSA-N
XLogP1.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea?
The IUPAC name of 1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea (CID 13172179) is 1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea?
The canonical SMILES for 1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea is COC(NC(=O)NC(C)(C)C)C(C)(C)OC.
What is the InChIKey of 1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea?
The InChIKey is YREQWXDMDSAYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-10(2,3)13-9(14)12-8(15-6)11(4,5)16-7/h8H,1-7H3,(H2,12,13,14).
What are the key properties of 1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea?
1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea has a molecular weight of 232.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1,2-dimethoxy-2-methylpropyl)urea is sourced from PubChem (CID 13172179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).