ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate

C28H24F3NO4 — CID 10553276

IUPACethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1c(CC)c(C(=O)c2cccc(C(F)(F)F)c2)n2cccc(OCc3ccccc3)c12
InChIInChI=1S/C28H24F3NO4/c1-3-21-23(27(34)35-4-2)25-22(36-17-18-10-6-5-7-11-18)14-9-15-32(25)24(21)26(33)19-12-8-13-20(16-19)28(29,30)31/h5-16H,3-4,17H2,1-2H3
InChIKeyPPBHZKHYQNXGAU-UHFFFAOYSA-N
MW495.50 g/mol
LogP6.51
Rot. Bonds8

About ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate

ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate (PubChem CID 10553276) has the molecular formula C28H24F3NO4 and a molecular weight of 495.50 g/mol. Its IUPAC name is ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate
PubChem CID10553276
Molecular FormulaC28H24F3NO4
Molecular Weight495.50 g/mol
Exact Mass495.17
IUPAC Nameethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1c(CC)c(C(=O)c2cccc(C(F)(F)F)c2)n2cccc(OCc3ccccc3)c12
InChIInChI=1S/C28H24F3NO4/c1-3-21-23(27(34)35-4-2)25-22(36-17-18-10-6-5-7-11-18)14-9-15-32(25)24(21)26(33)19-12-8-13-20(16-19)28(29,30)31/h5-16H,3-4,17H2,1-2H3
InChIKeyPPBHZKHYQNXGAU-UHFFFAOYSA-N
XLogP6.51
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.50
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ssr128129E
CID 68853159
Indoxam
CID 9911907
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(1-Aminooxalyl-2-ethyl-3-naphthalen-1-ylmethyl-indolizin-8-yloxy)-acetic acid
CID 9802744
[[1-(1,2-Dioxo-2-aminoethyl)-2-ethyl-3-[3-(trifluoromethyl)benzyl]indolizin-8-yl]oxy]acetic acid
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(1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-cyclopropyl-indolizin-8-yloxy)-acetic acid
CID 9847448
3-(1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-ethyl-indolizin-8-yloxy)-propionic acid
CID 9869328
(1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-ethyl-indolizin-8-yloxy)-acetic acid methyl ester
CID 9869329
(1-Aminooxalyl-3-benzyl-2-ethyl-indolizin-8-yloxy)-acetic acid
CID 9886168
(1-Aminooxalyl-3-benzyl-2-methyl-indolizin-8-yloxy)-acetic acid
CID 10406575
(1-Aminooxalyl-2-ethyl-3-phenethyl-indolizin-8-yloxy)-acetic acid
CID 10524659
2-(3-(Biphenyl-2-ylmethyl)-8-carbomethoxymethyloxy-2-isopropylindolizin-1-yl)glyoxylamide
CID 10528864

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate (CID 10553276) is ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate is CCOC(=O)c1c(CC)c(C(=O)c2cccc(C(F)(F)F)c2)n2cccc(OCc3ccccc3)c12.
What is the InChIKey of ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate?
The InChIKey is PPBHZKHYQNXGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3NO4/c1-3-21-23(27(34)35-4-2)25-22(36-17-18-10-6-5-7-11-18)14-9-15-32(25)24(21)26(33)19-12-8-13-20(16-19)28(29,30)31/h5-16H,3-4,17H2,1-2H3.
What are the key properties of ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate?
ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate has a molecular weight of 495.50 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylate is sourced from PubChem (CID 10553276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).