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

C14H26N2O3 — CID 108911838

IUPAC3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N/C=C/C1CCCC1
InChIInChI=1S/C14H26N2O3/c1-18-11-9-16(10-12-19-2)14(17)15-8-7-13-5-3-4-6-13/h7-8,13H,3-6,9-12H2,1-2H3,(H,15,17)/b8-7+
InChIKeyKQWGAKIOWGRPDE-BQYQJAHWSA-N
MW270.37 g/mol
LogP1.99
Rot. Bonds8

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

3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 108911838) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea
PubChem CID108911838
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N/C=C/C1CCCC1
InChIInChI=1S/C14H26N2O3/c1-18-11-9-16(10-12-19-2)14(17)15-8-7-13-5-3-4-6-13/h7-8,13H,3-6,9-12H2,1-2H3,(H,15,17)/b8-7+
InChIKeyKQWGAKIOWGRPDE-BQYQJAHWSA-N
XLogP1.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea (CID 108911838) is 3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)N/C=C/C1CCCC1.
What is the InChIKey of 3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is KQWGAKIOWGRPDE-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-18-11-9-16(10-12-19-2)14(17)15-8-7-13-5-3-4-6-13/h7-8,13H,3-6,9-12H2,1-2H3,(H,15,17)/b8-7+.
What are the key properties of 3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea?
3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea has a molecular weight of 270.37 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108911838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).