1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea

C8H16N2O3 — CID 130659298

IUPAC1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea
SMILESCON(C)C(=O)NC1CCOC1C
InChIInChI=1S/C8H16N2O3/c1-6-7(4-5-13-6)9-8(11)10(2)12-3/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyUELLLYCHGVGVOZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.37
Rot. Bonds2

About 1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea

1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea (PubChem CID 130659298) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea
PubChem CID130659298
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea
SMILESCON(C)C(=O)NC1CCOC1C
InChIInChI=1S/C8H16N2O3/c1-6-7(4-5-13-6)9-8(11)10(2)12-3/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyUELLLYCHGVGVOZ-UHFFFAOYSA-N
XLogP0.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2-methyloxolan-3-yl)carbamate
CID 115869605
1-methoxy-1-methyl-3-(4-methylthiolan-3-yl)urea
CID 130611608
trans-(1R,2R)-2-methyl-N-(2-methyloxolan-3-yl)cyclopropane-1-carboxamide
CID 130637471
2,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82736324
3-[ethyl-[(2-methyloxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82727894
methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
CID 116657138
N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033634
3-methyl-N-(2-methyloxolan-3-yl)pyrrolidine-2-carboxamide
CID 102779917
methyl (2R,3S,4R)-2,4-dimethyloxane-3-carboxylate
CID 14417467
N-(2-methyloxolan-3-yl)azetidine-1-carboxamide
CID 126999523
methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate
CID 82726709
4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 82728453

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea?
The IUPAC name of 1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea (CID 130659298) is 1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea.
What is the SMILES notation for 1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea?
The canonical SMILES for 1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea is CON(C)C(=O)NC1CCOC1C.
What is the InChIKey of 1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea?
The InChIKey is UELLLYCHGVGVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6-7(4-5-13-6)9-8(11)10(2)12-3/h6-7H,4-5H2,1-3H3,(H,9,11).
What are the key properties of 1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea?
1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea has a molecular weight of 188.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methyl-3-(2-methyloxolan-3-yl)urea is sourced from PubChem (CID 130659298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).