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

C10H20N2O2 — CID 115695106

IUPAC3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
SMILESCN(C(=O)NC(C)(C)C)C1CCOC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)11-9(13)12(4)8-5-6-14-7-8/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyXOYPDNVXENFWOT-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds1

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

3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea (PubChem CID 115695106) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
PubChem CID115695106
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
SMILESCN(C(=O)NC(C)(C)C)C1CCOC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)11-9(13)12(4)8-5-6-14-7-8/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyXOYPDNVXENFWOT-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742753
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide
CID 131085788
(2S)-3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]butanoic acid
CID 82742598
4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
CID 82742829
3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid
CID 82742596
5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 82740289
2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 82742597
6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 82740104
4-amino-N,4-dimethyl-N-(oxolan-3-yl)pentanamide
CID 81489962
3-(2,4-dimethyl-5-nitrophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 86794422
1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760744

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea?
The IUPAC name of 3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea (CID 115695106) is 3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea.
What is the SMILES notation for 3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea?
The canonical SMILES for 3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea is CN(C(=O)NC(C)(C)C)C1CCOC1.
What is the InChIKey of 3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea?
The InChIKey is XOYPDNVXENFWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)11-9(13)12(4)8-5-6-14-7-8/h8H,5-7H2,1-4H3,(H,11,13).
What are the key properties of 3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea?
3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea has a molecular weight of 200.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea is sourced from PubChem (CID 115695106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).