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

C11H21N3O3 — CID 75439050

IUPAC3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
SMILESCOCCNC(=O)N(C)CCN1CCCC1=O
InChIInChI=1S/C11H21N3O3/c1-13(11(16)12-5-9-17-2)7-8-14-6-3-4-10(14)15/h3-9H2,1-2H3,(H,12,16)
InChIKeyCXYUCBDRAQNTNU-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.10
Rot. Bonds6

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

3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea (PubChem CID 75439050) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
PubChem CID75439050
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
SMILESCOCCNC(=O)N(C)CCN1CCCC1=O
InChIInChI=1S/C11H21N3O3/c1-13(11(16)12-5-9-17-2)7-8-14-6-3-4-10(14)15/h3-9H2,1-2H3,(H,12,16)
InChIKeyCXYUCBDRAQNTNU-UHFFFAOYSA-N
XLogP-0.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.10
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The IUPAC name of 3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea (CID 75439050) is 3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea.
What is the SMILES notation for 3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The canonical SMILES for 3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea is COCCNC(=O)N(C)CCN1CCCC1=O.
What is the InChIKey of 3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The InChIKey is CXYUCBDRAQNTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-13(11(16)12-5-9-17-2)7-8-14-6-3-4-10(14)15/h3-9H2,1-2H3,(H,12,16).
What are the key properties of 3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
3-(2-methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea has a molecular weight of 243.31 g/mol, XLogP of -0.10, 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-(2-oxopyrrolidin-1-yl)ethyl]urea is sourced from PubChem (CID 75439050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).