1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea

C9H18N2O2 — CID 108914219

IUPAC1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)NCCOC
InChIInChI=1S/C9H18N2O2/c1-4-8(2)7-11-9(12)10-5-6-13-3/h7H,4-6H2,1-3H3,(H2,10,11,12)/b8-7+
InChIKeyDTXGGYDCTNFZCU-BQYQJAHWSA-N
MW186.25 g/mol
LogP1.25
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea

1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea (PubChem CID 108914219) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
PubChem CID108914219
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)NCCOC
InChIInChI=1S/C9H18N2O2/c1-4-8(2)7-11-9(12)10-5-6-13-3/h7H,4-6H2,1-3H3,(H2,10,11,12)/b8-7+
InChIKeyDTXGGYDCTNFZCU-BQYQJAHWSA-N
XLogP1.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis[2-(2-methylprop-1-enoxy)ethyl]urea
CID 151388958
1-(2-But-3-enoxyethyl)-3-methylurea
CID 103852773
1-(2-But-3-enoxyethyl)-3-ethylurea
CID 103852775
1-(2-Methoxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909803
1-(3-Ethoxypropyl)-3-(2-methylprop-1-enyl)urea
CID 108909804
1-(3-Methoxypropyl)-3-(2-methylprop-1-enyl)urea
CID 108909811
1,1-Bis(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909976
1-(2,2-Dimethoxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909993
1-[(E)-but-1-enyl]-3-(2-methoxyethyl)urea
CID 108910544
3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea
CID 108910719
1-(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108910917
1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911092

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea (CID 108914219) is 1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea is CC/C(C)=C/NC(=O)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
The InChIKey is DTXGGYDCTNFZCU-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-8(2)7-11-9(12)10-5-6-13-3/h7H,4-6H2,1-3H3,(H2,10,11,12)/b8-7+.
What are the key properties of 1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea has a molecular weight of 186.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea is sourced from PubChem (CID 108914219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).