3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea

C12H24N2O3 — CID 110426615

IUPAC3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea
SMILESCOCCNC(=O)N(C)CCC1CCCCO1
InChIInChI=1S/C12H24N2O3/c1-14(12(15)13-7-10-16-2)8-6-11-5-3-4-9-17-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeySONAXQDBVXGWGH-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.23
Rot. Bonds6

About 3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea

3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea (PubChem CID 110426615) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea
PubChem CID110426615
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea
SMILESCOCCNC(=O)N(C)CCC1CCCCO1
InChIInChI=1S/C12H24N2O3/c1-14(12(15)13-7-10-16-2)8-6-11-5-3-4-9-17-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeySONAXQDBVXGWGH-UHFFFAOYSA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(3-methylbutyl)-1-[2-(oxan-2-yl)ethyl]urea
CID 110426616
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
4-[[methyl-[2-(oxan-2-yl)ethyl]carbamoyl]amino]-N-propylbenzamide
CID 118769242
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
3-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808
N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943055
2-(2-methoxyethylamino)-N-(oxan-2-ylmethyl)acetamide
CID 79281834
3-[2-(4-bromophenoxy)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 86861539
N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide
CID 103983559
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea?
The IUPAC name of 3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea (CID 110426615) is 3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea.
What is the SMILES notation for 3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea?
The canonical SMILES for 3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea is COCCNC(=O)N(C)CCC1CCCCO1.
What is the InChIKey of 3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea?
The InChIKey is SONAXQDBVXGWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-14(12(15)13-7-10-16-2)8-6-11-5-3-4-9-17-11/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea?
3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea has a molecular weight of 244.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea is sourced from PubChem (CID 110426615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).