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

C16H22N2O — CID 108911860

IUPAC1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-14-9-5-6-10-15(14)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+
InChIKeySFVRLNHHYDLLDU-VAWYXSNFSA-N
MW258.37 g/mol
LogP4.07
Rot. Bonds4

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

1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea (PubChem CID 108911860) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea
PubChem CID108911860
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-14-9-5-6-10-15(14)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+
InChIKeySFVRLNHHYDLLDU-VAWYXSNFSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea
CID 108911873
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108909998
1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911622
1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea
CID 108911711
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
CID 108912023
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781
1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108911715
1-(1-cyclopropylethyl)-3-(2-ethylphenyl)urea
CID 47133266
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912284

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea (CID 108911860) is 1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)N/C=C/C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea?
The InChIKey is SFVRLNHHYDLLDU-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-14-9-5-6-10-15(14)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-ethylphenyl)urea?
1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea has a molecular weight of 258.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea is sourced from PubChem (CID 108911860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).