1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea

C12H24N2O2 — CID 115759088

IUPAC1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
SMILESCC(CNC(=O)NC1CCOC1)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9(12(2,3)4)7-13-11(15)14-10-5-6-16-8-10/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyGOTOPZZLGCNMAZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.76
Rot. Bonds3

About 1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea

1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea (PubChem CID 115759088) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
PubChem CID115759088
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
SMILESCC(CNC(=O)NC1CCOC1)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9(12(2,3)4)7-13-11(15)14-10-5-6-16-8-10/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyGOTOPZZLGCNMAZ-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-(4-aminopentyl)-3-(oxolan-3-yl)urea
CID 106125032
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea
CID 104929916
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea
CID 104873824
1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea
CID 106153750
1-(2,2-dimethylheptyl)-3-(oxolan-3-yl)urea
CID 115759165
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(oxolan-3-yl)urea
CID 113321959
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea?
The IUPAC name of 1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea (CID 115759088) is 1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea.
What is the SMILES notation for 1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea?
The canonical SMILES for 1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea is CC(CNC(=O)NC1CCOC1)C(C)(C)C.
What is the InChIKey of 1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea?
The InChIKey is GOTOPZZLGCNMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(12(2,3)4)7-13-11(15)14-10-5-6-16-8-10/h9-10H,5-8H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea?
1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea has a molecular weight of 228.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea is sourced from PubChem (CID 115759088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).