1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea

C10H22N2O3 — CID 56724270

IUPAC1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
SMILESCOCC(C)(O)CNC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-9(2,3)12-8(13)11-6-10(4,14)7-15-5/h14H,6-7H2,1-5H3,(H2,11,12,13)
InChIKeyOVGTVJCIIAMVQW-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.48
Rot. Bonds4

About 1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea

1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea (PubChem CID 56724270) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
PubChem CID56724270
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
SMILESCOCC(C)(O)CNC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-9(2,3)12-8(13)11-6-10(4,14)7-15-5/h14H,6-7H2,1-5H3,(H2,11,12,13)
InChIKeyOVGTVJCIIAMVQW-UHFFFAOYSA-N
XLogP0.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea?
The IUPAC name of 1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea (CID 56724270) is 1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea?
The canonical SMILES for 1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea is COCC(C)(O)CNC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea?
The InChIKey is OVGTVJCIIAMVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-9(2,3)12-8(13)11-6-10(4,14)7-15-5/h14H,6-7H2,1-5H3,(H2,11,12,13).
What are the key properties of 1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea?
1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea has a molecular weight of 218.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea is sourced from PubChem (CID 56724270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).