4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine

C26H29NO2 — CID 11794607

IUPAC4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine
SMILESC/C=C(/C1=C(OCC)C=C(c2ccccc2)C1N1CCOCC1)c1ccccc1
InChIInChI=1S/C26H29NO2/c1-3-22(20-11-7-5-8-12-20)25-24(29-4-2)19-23(21-13-9-6-10-14-21)26(25)27-15-17-28-18-16-27/h3,5-14,19,26H,4,15-18H2,1-2H3/b22-3+
InChIKeyCVIYDXKQJCKJDF-HEQWTUPCSA-N
MW387.52 g/mol
LogP5.18
Rot. Bonds6

About 4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine

4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine (PubChem CID 11794607) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine
PubChem CID11794607
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine
SMILESC/C=C(/C1=C(OCC)C=C(c2ccccc2)C1N1CCOCC1)c1ccccc1
InChIInChI=1S/C26H29NO2/c1-3-22(20-11-7-5-8-12-20)25-24(29-4-2)19-23(21-13-9-6-10-14-21)26(25)27-15-17-28-18-16-27/h3,5-14,19,26H,4,15-18H2,1-2H3/b22-3+
InChIKeyCVIYDXKQJCKJDF-HEQWTUPCSA-N
XLogP5.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine?
The IUPAC name of 4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine (CID 11794607) is 4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine.
What is the SMILES notation for 4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine?
The canonical SMILES for 4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine is C/C=C(/C1=C(OCC)C=C(c2ccccc2)C1N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine?
The InChIKey is CVIYDXKQJCKJDF-HEQWTUPCSA-N. The full InChI is InChI=1S/C26H29NO2/c1-3-22(20-11-7-5-8-12-20)25-24(29-4-2)19-23(21-13-9-6-10-14-21)26(25)27-15-17-28-18-16-27/h3,5-14,19,26H,4,15-18H2,1-2H3/b22-3+.
What are the key properties of 4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine?
4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine has a molecular weight of 387.52 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxy-5-phenyl-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine is sourced from PubChem (CID 11794607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).