2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide

C28H29NO3 — CID 90967112

IUPAC2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide
SMILESCCOC(C(N)=O)C(CC)c1ccc(OCC=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H29NO3/c1-3-21(27(28(29)30)31-4-2)19-13-15-20(16-14-19)32-18-17-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-17,21,27H,3-4,18H2,1-2H3,(H2,29,30)
InChIKeyYXPVGYGXMOPAFK-UHFFFAOYSA-N
MW427.54 g/mol
LogP5.56
Rot. Bonds9

About 2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide

2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide (PubChem CID 90967112) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide
PubChem CID90967112
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide
SMILESCCOC(C(N)=O)C(CC)c1ccc(OCC=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H29NO3/c1-3-21(27(28(29)30)31-4-2)19-13-15-20(16-14-19)32-18-17-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-17,21,27H,3-4,18H2,1-2H3,(H2,29,30)
InChIKeyYXPVGYGXMOPAFK-UHFFFAOYSA-N
XLogP5.56
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide?
The IUPAC name of 2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide (CID 90967112) is 2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide?
The canonical SMILES for 2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide is CCOC(C(N)=O)C(CC)c1ccc(OCC=C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide?
The InChIKey is YXPVGYGXMOPAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c1-3-21(27(28(29)30)31-4-2)19-13-15-20(16-14-19)32-18-17-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-17,21,27H,3-4,18H2,1-2H3,(H2,29,30).
What are the key properties of 2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide?
2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide has a molecular weight of 427.54 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-(2-fluoren-9-ylideneethoxy)phenyl]pentanamide is sourced from PubChem (CID 90967112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).