1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea

C10H22N2O2 — CID 115695179

IUPAC1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea
SMILESCOCC(C)(C)NC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-9(2,3)11-8(13)12-10(4,5)7-14-6/h7H2,1-6H3,(H2,11,12,13)
InChIKeyXZSDYMDGPYBTBB-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds3

About 1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea

1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea (PubChem CID 115695179) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea
PubChem CID115695179
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea
SMILESCOCC(C)(C)NC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-9(2,3)11-8(13)12-10(4,5)7-14-6/h7H2,1-6H3,(H2,11,12,13)
InChIKeyXZSDYMDGPYBTBB-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea (CID 115695179) is 1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea is COCC(C)(C)NC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea?
The InChIKey is XZSDYMDGPYBTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(2,3)11-8(13)12-10(4,5)7-14-6/h7H2,1-6H3,(H2,11,12,13).
What are the key properties of 1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea?
1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea has a molecular weight of 202.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 115695179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).