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

C16H22N2O2 — CID 108911873

IUPAC1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C16H22N2O2/c1-2-20-15-10-6-5-9-14(15)18-16(19)17-12-11-13-7-3-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3,(H2,17,18,19)/b12-11+
InChIKeyWKLHUWHVMXRPAW-VAWYXSNFSA-N
MW274.36 g/mol
LogP3.91
Rot. Bonds5

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

1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea (PubChem CID 108911873) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea
PubChem CID108911873
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C16H22N2O2/c1-2-20-15-10-6-5-9-14(15)18-16(19)17-12-11-13-7-3-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3,(H2,17,18,19)/b12-11+
InChIKeyWKLHUWHVMXRPAW-VAWYXSNFSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea
CID 108911860
1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904070
1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108912327
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea
CID 108908536
1-[(E)-2-cyclohexylethenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108912165
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
(2R)-2-acetamido-2-cyclopentyl-N-(2-ethoxyphenyl)acetamide
CID 40938974
2-amino-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64817550
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-ethoxyphenyl)propanamide
CID 87040089
1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108911715
2-N-cyclopentyl-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132110

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea (CID 108911873) is 1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)N/C=C/C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is WKLHUWHVMXRPAW-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-20-15-10-6-5-9-14(15)18-16(19)17-12-11-13-7-3-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3,(H2,17,18,19)/b12-11+.
What are the key properties of 1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea?
1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 274.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 108911873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).