3-(2-but-3-enoxyethyl)-1,1-diethylurea

C11H22N2O2 — CID 103853996

IUPAC3-(2-but-3-enoxyethyl)-1,1-diethylurea
SMILESC=CCCOCCNC(=O)N(CC)CC
InChIInChI=1S/C11H22N2O2/c1-4-7-9-15-10-8-12-11(14)13(5-2)6-3/h4H,1,5-10H2,2-3H3,(H,12,14)
InChIKeyOIHGBEYSURMMTO-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.63
Rot. Bonds8

About 3-(2-but-3-enoxyethyl)-1,1-diethylurea

3-(2-but-3-enoxyethyl)-1,1-diethylurea (PubChem CID 103853996) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(2-but-3-enoxyethyl)-1,1-diethylurea
PubChem CID103853996
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(2-but-3-enoxyethyl)-1,1-diethylurea
SMILESC=CCCOCCNC(=O)N(CC)CC
InChIInChI=1S/C11H22N2O2/c1-4-7-9-15-10-8-12-11(14)13(5-2)6-3/h4H,1,5-10H2,2-3H3,(H,12,14)
InChIKeyOIHGBEYSURMMTO-UHFFFAOYSA-N
XLogP1.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-enoxyethyl)-1,1-diethylurea?
The IUPAC name of 3-(2-but-3-enoxyethyl)-1,1-diethylurea (CID 103853996) is 3-(2-but-3-enoxyethyl)-1,1-diethylurea.
What is the SMILES notation for 3-(2-but-3-enoxyethyl)-1,1-diethylurea?
The canonical SMILES for 3-(2-but-3-enoxyethyl)-1,1-diethylurea is C=CCCOCCNC(=O)N(CC)CC.
What is the InChIKey of 3-(2-but-3-enoxyethyl)-1,1-diethylurea?
The InChIKey is OIHGBEYSURMMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-7-9-15-10-8-12-11(14)13(5-2)6-3/h4H,1,5-10H2,2-3H3,(H,12,14).
What are the key properties of 3-(2-but-3-enoxyethyl)-1,1-diethylurea?
3-(2-but-3-enoxyethyl)-1,1-diethylurea has a molecular weight of 214.31 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-enoxyethyl)-1,1-diethylurea is sourced from PubChem (CID 103853996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).