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

C10H20N2O2 — CID 115766446

IUPAC1-tert-butyl-3-(3-methyloxolan-3-yl)urea
SMILESCC(C)(C)NC(=O)NC1(C)CCOC1
InChIInChI=1S/C10H20N2O2/c1-9(2,3)11-8(13)12-10(4)5-6-14-7-10/h5-7H2,1-4H3,(H2,11,12,13)
InChIKeyMOVRCDKMXQPENR-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds1

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

1-tert-butyl-3-(3-methyloxolan-3-yl)urea (PubChem CID 115766446) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-methyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3-methyloxolan-3-yl)urea
PubChem CID115766446
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-tert-butyl-3-(3-methyloxolan-3-yl)urea
SMILESCC(C)(C)NC(=O)NC1(C)CCOC1
InChIInChI=1S/C10H20N2O2/c1-9(2,3)11-8(13)12-10(4)5-6-14-7-10/h5-7H2,1-4H3,(H2,11,12,13)
InChIKeyMOVRCDKMXQPENR-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea
CID 164821401
1-(3-Methylpentan-3-yl)-3-(oxolan-3-yl)urea
CID 103841144
1-Tert-butyl-3-(2,3-dimethyloxolan-3-yl)urea
CID 104436877
1-[2-(3-Methylbutoxy)ethyl]-3-(oxolan-3-yl)urea
CID 113321947
3-Tert-butyl-1-methyl-1-(oxolan-3-yl)urea
CID 115695106
1-Tert-butyl-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 115695179
1-Tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
1-(3-Methylbutan-2-yl)-3-(oxolan-3-yl)urea
CID 115758255
1-(1-Methoxy-3-methylbutan-2-yl)-3-(oxolan-3-yl)urea
CID 115759116
1-(2-Methylbutan-2-yl)-3-(oxolan-3-yl)urea
CID 115760705
1-(3-Ethylpentan-3-yl)-3-(oxolan-3-yl)urea
CID 115760745
1-(1-Methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea
CID 115760753

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-methyloxolan-3-yl)urea?
The IUPAC name of 1-tert-butyl-3-(3-methyloxolan-3-yl)urea (CID 115766446) is 1-tert-butyl-3-(3-methyloxolan-3-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3-methyloxolan-3-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(3-methyloxolan-3-yl)urea is CC(C)(C)NC(=O)NC1(C)CCOC1.
What is the InChIKey of 1-tert-butyl-3-(3-methyloxolan-3-yl)urea?
The InChIKey is MOVRCDKMXQPENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2,3)11-8(13)12-10(4)5-6-14-7-10/h5-7H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-tert-butyl-3-(3-methyloxolan-3-yl)urea?
1-tert-butyl-3-(3-methyloxolan-3-yl)urea has a molecular weight of 200.28 g/mol, XLogP of 1.26, 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-methyloxolan-3-yl)urea is sourced from PubChem (CID 115766446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).