1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea

C14H26N2O2 — CID 108913848

IUPAC1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)N/C=C(\C)C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-3-18-10-6-9-15-14(17)16-11-12(2)13-7-4-5-8-13/h11,13H,3-10H2,1-2H3,(H2,15,16,17)/b12-11+
InChIKeyYYENOZMOKQDEHK-VAWYXSNFSA-N
MW254.37 g/mol
LogP2.81
Rot. Bonds7

About 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea

1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea (PubChem CID 108913848) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea
PubChem CID108913848
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)N/C=C(\C)C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-3-18-10-6-9-15-14(17)16-11-12(2)13-7-4-5-8-13/h11,13H,3-10H2,1-2H3,(H2,15,16,17)/b12-11+
InChIKeyYYENOZMOKQDEHK-VAWYXSNFSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea (CID 108913848) is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea is CCOCCCNC(=O)N/C=C(\C)C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea?
The InChIKey is YYENOZMOKQDEHK-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-18-10-6-9-15-14(17)16-11-12(2)13-7-4-5-8-13/h11,13H,3-10H2,1-2H3,(H2,15,16,17)/b12-11+.
What are the key properties of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea?
1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea has a molecular weight of 254.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-ethoxypropyl)urea is sourced from PubChem (CID 108913848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).