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

C15H28N2O3 — CID 108912211

IUPAC3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N/C=C/C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-19-12-10-17(11-13-20-2)15(18)16-9-8-14-6-4-3-5-7-14/h8-9,14H,3-7,10-13H2,1-2H3,(H,16,18)/b9-8+
InChIKeyHKAFPXQMYKHKHE-CMDGGOBGSA-N
MW284.40 g/mol
LogP2.38
Rot. Bonds8

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

3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 108912211) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea
PubChem CID108912211
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N/C=C/C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-19-12-10-17(11-13-20-2)15(18)16-9-8-14-6-4-3-5-7-14/h8-9,14H,3-7,10-13H2,1-2H3,(H,16,18)/b9-8+
InChIKeyHKAFPXQMYKHKHE-CMDGGOBGSA-N
XLogP2.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea (CID 108912211) is 3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)N/C=C/C1CCCCC1.
What is the InChIKey of 3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is HKAFPXQMYKHKHE-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-19-12-10-17(11-13-20-2)15(18)16-9-8-14-6-4-3-5-7-14/h8-9,14H,3-7,10-13H2,1-2H3,(H,16,18)/b9-8+.
What are the key properties of 3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea?
3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea has a molecular weight of 284.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108912211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).