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

C11H22N2O2 — CID 103852776

IUPAC1-(2-but-3-enoxyethyl)-3-tert-butylurea
SMILESC=CCCOCCNC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-6-8-15-9-7-12-10(14)13-11(2,3)4/h5H,1,6-9H2,2-4H3,(H2,12,13,14)
InChIKeyRDTBMMHOMCIXSG-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.68
Rot. Bonds6

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

1-(2-but-3-enoxyethyl)-3-tert-butylurea (PubChem CID 103852776) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-3-tert-butylurea
PubChem CID103852776
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(2-but-3-enoxyethyl)-3-tert-butylurea
SMILESC=CCCOCCNC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-6-8-15-9-7-12-10(14)13-11(2,3)4/h5H,1,6-9H2,2-4H3,(H2,12,13,14)
InChIKeyRDTBMMHOMCIXSG-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

3-Tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea
CID 103338603
1-(2-But-3-enoxyethyl)-3-butylurea
CID 103852770
1-(2-But-3-enoxyethyl)-3-propan-2-ylurea
CID 103852771
1-(2-But-3-enoxyethyl)-3-cyclopropylurea
CID 103852772
1-(2-But-3-enoxyethyl)-3-methylurea
CID 103852773
2-But-3-enoxyethylurea
CID 103852774
1-(2-But-3-enoxyethyl)-3-ethylurea
CID 103852775
1-(2-But-3-enoxyethyl)-3-propylurea
CID 103852778
N-(2-but-3-enoxyethyl)morpholine-4-carboxamide
CID 103853131
3-(2-But-3-enoxyethyl)-1,1-dimethylurea
CID 103853136
3-(2-But-3-enoxyethyl)-1,1-diethylurea
CID 103853996
1-(2-But-3-enoxyethyl)-3-cyclobutylurea
CID 103855195

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-3-tert-butylurea?
The IUPAC name of 1-(2-but-3-enoxyethyl)-3-tert-butylurea (CID 103852776) is 1-(2-but-3-enoxyethyl)-3-tert-butylurea.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-3-tert-butylurea?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-3-tert-butylurea is C=CCCOCCNC(=O)NC(C)(C)C.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-3-tert-butylurea?
The InChIKey is RDTBMMHOMCIXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-6-8-15-9-7-12-10(14)13-11(2,3)4/h5H,1,6-9H2,2-4H3,(H2,12,13,14).
What are the key properties of 1-(2-but-3-enoxyethyl)-3-tert-butylurea?
1-(2-but-3-enoxyethyl)-3-tert-butylurea has a molecular weight of 214.31 g/mol, XLogP of 1.68, 6 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-tert-butylurea is sourced from PubChem (CID 103852776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).