1-tert-butyl-3-(3-methyloxan-3-yl)urea

C11H22N2O2 — CID 103895713

IUPAC1-tert-butyl-3-(3-methyloxan-3-yl)urea
SMILESCC(C)(C)NC(=O)NC1(C)CCCOC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)12-9(14)13-11(4)6-5-7-15-8-11/h5-8H2,1-4H3,(H2,12,13,14)
InChIKeyCTICILBYCNUZCR-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.65
Rot. Bonds1

About 1-tert-butyl-3-(3-methyloxan-3-yl)urea

1-tert-butyl-3-(3-methyloxan-3-yl)urea (PubChem CID 103895713) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-methyloxan-3-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3-methyloxan-3-yl)urea
PubChem CID103895713
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-tert-butyl-3-(3-methyloxan-3-yl)urea
SMILESCC(C)(C)NC(=O)NC1(C)CCCOC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)12-9(14)13-11(4)6-5-7-15-8-11/h5-8H2,1-4H3,(H2,12,13,14)
InChIKeyCTICILBYCNUZCR-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.65
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-(3-methyloxan-3-yl)urea?
The IUPAC name of 1-tert-butyl-3-(3-methyloxan-3-yl)urea (CID 103895713) is 1-tert-butyl-3-(3-methyloxan-3-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3-methyloxan-3-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(3-methyloxan-3-yl)urea is CC(C)(C)NC(=O)NC1(C)CCCOC1.
What is the InChIKey of 1-tert-butyl-3-(3-methyloxan-3-yl)urea?
The InChIKey is CTICILBYCNUZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)12-9(14)13-11(4)6-5-7-15-8-11/h5-8H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-tert-butyl-3-(3-methyloxan-3-yl)urea?
1-tert-butyl-3-(3-methyloxan-3-yl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-methyloxan-3-yl)urea is sourced from PubChem (CID 103895713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).