1-(2-but-3-enoxyethyl)-3-butylurea

C11H22N2O2 — CID 103852770

IUPAC1-(2-but-3-enoxyethyl)-3-butylurea
SMILESC=CCCOCCNC(=O)NCCCC
InChIInChI=1S/C11H22N2O2/c1-3-5-7-12-11(14)13-8-10-15-9-6-4-2/h4H,2-3,5-10H2,1H3,(H2,12,13,14)
InChIKeyBFXPPRSDKWKSCE-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.68
Rot. Bonds9

About 1-(2-but-3-enoxyethyl)-3-butylurea

1-(2-but-3-enoxyethyl)-3-butylurea (PubChem CID 103852770) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-3-butylurea.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-3-butylurea
PubChem CID103852770
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(2-but-3-enoxyethyl)-3-butylurea
SMILESC=CCCOCCNC(=O)NCCCC
InChIInChI=1S/C11H22N2O2/c1-3-5-7-12-11(14)13-8-10-15-9-6-4-2/h4H,2-3,5-10H2,1H3,(H2,12,13,14)
InChIKeyBFXPPRSDKWKSCE-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
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 1-(2-but-3-enoxyethyl)-3-butylurea?
The IUPAC name of 1-(2-but-3-enoxyethyl)-3-butylurea (CID 103852770) is 1-(2-but-3-enoxyethyl)-3-butylurea.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-3-butylurea?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-3-butylurea is C=CCCOCCNC(=O)NCCCC.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-3-butylurea?
The InChIKey is BFXPPRSDKWKSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-5-7-12-11(14)13-8-10-15-9-6-4-2/h4H,2-3,5-10H2,1H3,(H2,12,13,14).
What are the key properties of 1-(2-but-3-enoxyethyl)-3-butylurea?
1-(2-but-3-enoxyethyl)-3-butylurea has a molecular weight of 214.31 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-3-butylurea is sourced from PubChem (CID 103852770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).