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

C12H24N2O3 — CID 108914394

IUPAC1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)N(CCOC)CCOC
InChIInChI=1S/C12H24N2O3/c1-5-11(2)10-13-12(15)14(6-8-16-3)7-9-17-4/h10H,5-9H2,1-4H3,(H,13,15)/b11-10+
InChIKeyBKGPXLFCYJYIRX-ZHACJKMWSA-N
MW244.33 g/mol
LogP1.60
Rot. Bonds8

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

1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea (PubChem CID 108914394) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
PubChem CID108914394
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)N(CCOC)CCOC
InChIInChI=1S/C12H24N2O3/c1-5-11(2)10-13-12(15)14(6-8-16-3)7-9-17-4/h10H,5-9H2,1-4H3,(H,13,15)/b11-10+
InChIKeyBKGPXLFCYJYIRX-ZHACJKMWSA-N
XLogP1.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea (CID 108914394) is 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea is CC/C(C)=C/NC(=O)N(CCOC)CCOC.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
The InChIKey is BKGPXLFCYJYIRX-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-11(2)10-13-12(15)14(6-8-16-3)7-9-17-4/h10H,5-9H2,1-4H3,(H,13,15)/b11-10+.
What are the key properties of 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea has a molecular weight of 244.33 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea is sourced from PubChem (CID 108914394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).