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

C9H18N2O2 — CID 115755738

IUPAC1-tert-butyl-3-(oxolan-3-yl)urea
SMILESCC(C)(C)NC(=O)NC1CCOC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)10-7-4-5-13-6-7/h7H,4-6H2,1-3H3,(H2,10,11,12)
InChIKeyDOJGQUPZKRCQNF-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.87
Rot. Bonds1

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

1-tert-butyl-3-(oxolan-3-yl)urea (PubChem CID 115755738) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-tert-butyl-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(oxolan-3-yl)urea
PubChem CID115755738
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-tert-butyl-3-(oxolan-3-yl)urea
SMILESCC(C)(C)NC(=O)NC1CCOC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)10-7-4-5-13-6-7/h7H,4-6H2,1-3H3,(H2,10,11,12)
InChIKeyDOJGQUPZKRCQNF-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
1-tert-butyl-3-cyclobutylurea
CID 17217146
1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
CID 115759088
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
2-oxo-N-[(3S)-oxolan-3-yl]acetamide
CID 139551845
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea
CID 104929916
2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
CID 79801618
3-amino-2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 80717739
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
3,3-difluoro-N-(oxolan-3-yl)butanamide
CID 130702956
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(oxolan-3-yl)urea?
The IUPAC name of 1-tert-butyl-3-(oxolan-3-yl)urea (CID 115755738) is 1-tert-butyl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(oxolan-3-yl)urea is CC(C)(C)NC(=O)NC1CCOC1.
What is the InChIKey of 1-tert-butyl-3-(oxolan-3-yl)urea?
The InChIKey is DOJGQUPZKRCQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)10-7-4-5-13-6-7/h7H,4-6H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-tert-butyl-3-(oxolan-3-yl)urea?
1-tert-butyl-3-(oxolan-3-yl)urea has a molecular weight of 186.25 g/mol, XLogP of 0.87, 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-(oxolan-3-yl)urea is sourced from PubChem (CID 115755738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).