1-cyclooctyl-3-(4-ethylphenyl)urea

C17H26N2O — CID 24818712

IUPAC1-cyclooctyl-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-14-10-12-16(13-11-14)19-17(20)18-15-8-6-4-3-5-7-9-15/h10-13,15H,2-9H2,1H3,(H2,18,19,20)
InChIKeyMOVLKDPVDCCLGU-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.48
Rot. Bonds3

About 1-cyclooctyl-3-(4-ethylphenyl)urea

1-cyclooctyl-3-(4-ethylphenyl)urea (PubChem CID 24818712) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cyclooctyl-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-cyclooctyl-3-(4-ethylphenyl)urea
PubChem CID24818712
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-cyclooctyl-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-14-10-12-16(13-11-14)19-17(20)18-15-8-6-4-3-5-7-9-15/h10-13,15H,2-9H2,1H3,(H2,18,19,20)
InChIKeyMOVLKDPVDCCLGU-UHFFFAOYSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-(4-ethylphenyl)urea?
The IUPAC name of 1-cyclooctyl-3-(4-ethylphenyl)urea (CID 24818712) is 1-cyclooctyl-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-cyclooctyl-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-cyclooctyl-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of 1-cyclooctyl-3-(4-ethylphenyl)urea?
The InChIKey is MOVLKDPVDCCLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-14-10-12-16(13-11-14)19-17(20)18-15-8-6-4-3-5-7-9-15/h10-13,15H,2-9H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclooctyl-3-(4-ethylphenyl)urea?
1-cyclooctyl-3-(4-ethylphenyl)urea has a molecular weight of 274.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-(4-ethylphenyl)urea is sourced from PubChem (CID 24818712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).