1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea

C12H21N3O2 — CID 71792601

IUPAC1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea
SMILESCOCCNC(=O)NCC#CCN1CCCC1
InChIInChI=1S/C12H21N3O2/c1-17-11-7-14-12(16)13-6-2-3-8-15-9-4-5-10-15/h4-11H2,1H3,(H2,13,14,16)
InChIKeyHOGNYRGZKXRNER-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.03
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea

1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea (PubChem CID 71792601) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea
PubChem CID71792601
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea
SMILESCOCCNC(=O)NCC#CCN1CCCC1
InChIInChI=1S/C12H21N3O2/c1-17-11-7-14-12(16)13-6-2-3-8-15-9-4-5-10-15/h4-11H2,1H3,(H2,13,14,16)
InChIKeyHOGNYRGZKXRNER-UHFFFAOYSA-N
XLogP0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide
CID 103081951
1-(4-(Diisopropylamino)but-2-yn-1-yl)-3-(2-methoxyethyl)urea
CID 71792523
N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide
CID 21061623
2-(Pyrrolidin-1-ylmethoxy)ethylurea
CID 21799215
1-[2-[2-(Butylamino)ethoxy]ethyl]imidazolidin-2-one
CID 22381141
1-Butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea
CID 22381219
1-[2-[2-(Ethylamino)ethoxy]ethyl]-5-methylimidazolidin-2-one
CID 22381230
1-[2-[2-(Ethylamino)ethoxy]ethyl]imidazolidin-2-one
CID 22381281
1-[2-[2-(Methylamino)ethoxy]ethyl]imidazolidin-2-one
CID 22381335
5-Methyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazolidin-2-one
CID 22381378
1-[2-[2-(Butylamino)ethoxy]ethyl]-3-ethylurea
CID 22381443
1-[2-[2-[2-(Butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one
CID 22381461

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea (CID 71792601) is 1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea is COCCNC(=O)NCC#CCN1CCCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea?
The InChIKey is HOGNYRGZKXRNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-17-11-7-14-12(16)13-6-2-3-8-15-9-4-5-10-15/h4-11H2,1H3,(H2,13,14,16).
What are the key properties of 1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea?
1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea has a molecular weight of 239.32 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea is sourced from PubChem (CID 71792601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).