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

C15H28N2O3 — CID 108914021

IUPAC3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N/C=C(\C)C1CCCC1
InChIInChI=1S/C15H28N2O3/c1-13(14-6-4-5-7-14)12-16-15(18)17(8-10-19-2)9-11-20-3/h12,14H,4-11H2,1-3H3,(H,16,18)/b13-12+
InChIKeyPQKROAKTGSFTHT-OUKQBFOZSA-N
MW284.40 g/mol
LogP2.38
Rot. Bonds8

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

3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 108914021) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
PubChem CID108914021
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N/C=C(\C)C1CCCC1
InChIInChI=1S/C15H28N2O3/c1-13(14-6-4-5-7-14)12-16-15(18)17(8-10-19-2)9-11-20-3/h12,14H,4-11H2,1-3H3,(H,16,18)/b13-12+
InChIKeyPQKROAKTGSFTHT-OUKQBFOZSA-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

Analyze 3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea
CID 123272661
1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea
CID 108911663
N-[(E)-2-cyclopentylethenyl]morpholine-4-carboxamide
CID 108911691
3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108911803
3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea
CID 108911838
3-[(E)-2-cyclohexylethenyl]-1,1-bis(2-methoxyethyl)urea
CID 108912211
3-(Cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea
CID 108912584
1-(Cyclopentylidenemethyl)-3-(2-methoxyethyl)urea
CID 108913473
3-(Cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea
CID 108913648
N-[(E)-2-cyclopentylprop-1-enyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108913839
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2-methoxyethyl)urea
CID 108913846
1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea
CID 108913848

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea (CID 108914021) is 3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)N/C=C(\C)C1CCCC1.
What is the InChIKey of 3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is PQKROAKTGSFTHT-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13(14-6-4-5-7-14)12-16-15(18)17(8-10-19-2)9-11-20-3/h12,14H,4-11H2,1-3H3,(H,16,18)/b13-12+.
What are the key properties of 3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea?
3-[(E)-2-cyclopentylprop-1-enyl]-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-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108914021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).