4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine

C28H33NO2 — CID 10573908

IUPAC4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine
SMILESCCOC1=C(/C(=C/C(C)C)c2ccccc2)C(N2CCOCC2)C(c2ccccc2)=C1
InChIInChI=1S/C28H33NO2/c1-4-31-26-20-25(23-13-9-6-10-14-23)28(29-15-17-30-18-16-29)27(26)24(19-21(2)3)22-11-7-5-8-12-22/h5-14,19-21,28H,4,15-18H2,1-3H3/b24-19+
InChIKeyVNKFMAYAOYWKRT-LYBHJNIJSA-N
MW415.58 g/mol
LogP5.81
Rot. Bonds7

About 4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine

4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine (PubChem CID 10573908) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine
PubChem CID10573908
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine
SMILESCCOC1=C(/C(=C/C(C)C)c2ccccc2)C(N2CCOCC2)C(c2ccccc2)=C1
InChIInChI=1S/C28H33NO2/c1-4-31-26-20-25(23-13-9-6-10-14-23)28(29-15-17-30-18-16-29)27(26)24(19-21(2)3)22-11-7-5-8-12-22/h5-14,19-21,28H,4,15-18H2,1-3H3/b24-19+
InChIKeyVNKFMAYAOYWKRT-LYBHJNIJSA-N
XLogP5.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine?
The IUPAC name of 4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine (CID 10573908) is 4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine.
What is the SMILES notation for 4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine?
The canonical SMILES for 4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine is CCOC1=C(/C(=C/C(C)C)c2ccccc2)C(N2CCOCC2)C(c2ccccc2)=C1.
What is the InChIKey of 4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine?
The InChIKey is VNKFMAYAOYWKRT-LYBHJNIJSA-N. The full InChI is InChI=1S/C28H33NO2/c1-4-31-26-20-25(23-13-9-6-10-14-23)28(29-15-17-30-18-16-29)27(26)24(19-21(2)3)22-11-7-5-8-12-22/h5-14,19-21,28H,4,15-18H2,1-3H3/b24-19+.
What are the key properties of 4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine?
4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine has a molecular weight of 415.58 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxy-2-[(E)-3-methyl-1-phenylbut-1-enyl]-5-phenylcyclopenta-2,4-dien-1-yl]morpholine is sourced from PubChem (CID 10573908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).