1-benzyl-3-[(E)-2-cyclopentylethenyl]urea

C15H20N2O — CID 108911687

IUPAC1-benzyl-3-[(E)-2-cyclopentylethenyl]urea
SMILESO=C(N/C=C/C1CCCC1)NCc1ccccc1
InChIInChI=1S/C15H20N2O/c18-15(16-11-10-13-6-4-5-7-13)17-12-14-8-2-1-3-9-14/h1-3,8-11,13H,4-7,12H2,(H2,16,17,18)/b11-10+
InChIKeyFLAXLFZVZUVHMR-ZHACJKMWSA-N
MW244.34 g/mol
LogP3.19
Rot. Bonds4

About 1-benzyl-3-[(E)-2-cyclopentylethenyl]urea

1-benzyl-3-[(E)-2-cyclopentylethenyl]urea (PubChem CID 108911687) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-2-cyclopentylethenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(E)-2-cyclopentylethenyl]urea
PubChem CID108911687
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-benzyl-3-[(E)-2-cyclopentylethenyl]urea
SMILESO=C(N/C=C/C1CCCC1)NCc1ccccc1
InChIInChI=1S/C15H20N2O/c18-15(16-11-10-13-6-4-5-7-13)17-12-14-8-2-1-3-9-14/h1-3,8-11,13H,4-7,12H2,(H2,16,17,18)/b11-10+
InChIKeyFLAXLFZVZUVHMR-ZHACJKMWSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea
CID 108911674
1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea
CID 108912320
1-[(E)-2-cyclopropylethenyl]-3-(4-phenylbutyl)urea
CID 108916022
1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea
CID 108911860
1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108912333
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108911893
N-benzylcyclopentanecarboxamide
CID 835634
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
1-benzyl-3-(cyclohexylcarbamothioyl)urea
CID 134871380
N-benzylcyclobutanecarboxamide
CID 730128
1-benzyl-3-(2,2-dimethylcyclohexyl)urea
CID 103751631
1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]urea
CID 108905000

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-2-cyclopentylethenyl]urea?
The IUPAC name of 1-benzyl-3-[(E)-2-cyclopentylethenyl]urea (CID 108911687) is 1-benzyl-3-[(E)-2-cyclopentylethenyl]urea.
What is the SMILES notation for 1-benzyl-3-[(E)-2-cyclopentylethenyl]urea?
The canonical SMILES for 1-benzyl-3-[(E)-2-cyclopentylethenyl]urea is O=C(N/C=C/C1CCCC1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(E)-2-cyclopentylethenyl]urea?
The InChIKey is FLAXLFZVZUVHMR-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(16-11-10-13-6-4-5-7-13)17-12-14-8-2-1-3-9-14/h1-3,8-11,13H,4-7,12H2,(H2,16,17,18)/b11-10+.
What are the key properties of 1-benzyl-3-[(E)-2-cyclopentylethenyl]urea?
1-benzyl-3-[(E)-2-cyclopentylethenyl]urea has a molecular weight of 244.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(E)-2-cyclopentylethenyl]urea is sourced from PubChem (CID 108911687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).