1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea

C10H20N2O3 — CID 103606014

IUPAC1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea
SMILESCOCCOCCCNC(=O)NC1CC1
InChIInChI=1S/C10H20N2O3/c1-14-7-8-15-6-2-5-11-10(13)12-9-3-4-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyOUWNJNKVWJKGGE-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.50
Rot. Bonds8

About 1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea

1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea (PubChem CID 103606014) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea
PubChem CID103606014
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea
SMILESCOCCOCCCNC(=O)NC1CC1
InChIInChI=1S/C10H20N2O3/c1-14-7-8-15-6-2-5-11-10(13)12-9-3-4-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyOUWNJNKVWJKGGE-UHFFFAOYSA-N
XLogP0.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(Methylamino)propoxy]propylurea
CID 22381118
1-[3-[3-(Ethylamino)propoxy]propyl]-3-methylurea
CID 22381127
1-Ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea
CID 22381211
1-Butyl-3-[3-[3-(methylamino)propoxy]propyl]urea
CID 22381256
1-Ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea
CID 22381303
1-Methyl-3-[3-[3-(methylamino)propoxy]propyl]urea
CID 22381438
1,3-Bis(3-ethoxypropyl)urea
CID 53736954
1,3-Bis(3-methoxypropyl)urea
CID 57055176
N-(3-Methoxypropyl)-N'-propylurea
CID 86162755
1-[3-[2-[2-(3-Aminopropoxy)ethoxy]ethoxy]propyl]-3-ethylurea
CID 87107272
3-(2-Methoxyethoxy)propylurea
CID 103606259
1-(3-Ethoxypropyl)-3-ethylurea
CID 108890430

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea (CID 103606014) is 1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea is COCCOCCCNC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea?
The InChIKey is OUWNJNKVWJKGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-7-8-15-6-2-5-11-10(13)12-9-3-4-9/h9H,2-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea?
1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea has a molecular weight of 216.28 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]urea is sourced from PubChem (CID 103606014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).