1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea

C20H34N2O — CID 87871333

IUPAC1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea
SMILESCC=CC=CC=CCCCCNC(=O)N(CC)C1CCCCC1
InChIInChI=1S/C20H34N2O/c1-3-5-6-7-8-9-10-11-15-18-21-20(23)22(4-2)19-16-13-12-14-17-19/h3,5-9,19H,4,10-18H2,1-2H3,(H,21,23)
InChIKeyZHAQEDUXCNYCOO-UHFFFAOYSA-N
MW318.50 g/mol
LogP5.21
Rot. Bonds9

About 1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea

1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea (PubChem CID 87871333) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea
PubChem CID87871333
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea
SMILESCC=CC=CC=CCCCCNC(=O)N(CC)C1CCCCC1
InChIInChI=1S/C20H34N2O/c1-3-5-6-7-8-9-10-11-15-18-21-20(23)22(4-2)19-16-13-12-14-17-19/h3,5-9,19H,4,10-18H2,1-2H3,(H,21,23)
InChIKeyZHAQEDUXCNYCOO-UHFFFAOYSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea?
The IUPAC name of 1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea (CID 87871333) is 1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea.
What is the SMILES notation for 1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea?
The canonical SMILES for 1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea is CC=CC=CC=CCCCCNC(=O)N(CC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea?
The InChIKey is ZHAQEDUXCNYCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-3-5-6-7-8-9-10-11-15-18-21-20(23)22(4-2)19-16-13-12-14-17-19/h3,5-9,19H,4,10-18H2,1-2H3,(H,21,23).
What are the key properties of 1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea?
1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea has a molecular weight of 318.50 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethyl-3-undeca-5,7,9-trienylurea is sourced from PubChem (CID 87871333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).