N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide

C25H28N2O2 — CID 118344225

IUPACN-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide
SMILESCCc1cc2ccccn2c1C(=O)c1ccc(/C=C/C(C)N(CC)C(C)=O)cc1
InChIInChI=1S/C25H28N2O2/c1-5-21-17-23-9-7-8-16-27(23)24(21)25(29)22-14-12-20(13-15-22)11-10-18(3)26(6-2)19(4)28/h7-18H,5-6H2,1-4H3/b11-10+
InChIKeyFFAJDHSEIAZHRN-ZHACJKMWSA-N
MW388.51 g/mol
LogP5.00
Rot. Bonds7

About N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide

N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide (PubChem CID 118344225) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide
PubChem CID118344225
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide
SMILESCCc1cc2ccccn2c1C(=O)c1ccc(/C=C/C(C)N(CC)C(C)=O)cc1
InChIInChI=1S/C25H28N2O2/c1-5-21-17-23-9-7-8-16-27(23)24(21)25(29)22-14-12-20(13-15-22)11-10-18(3)26(6-2)19(4)28/h7-18H,5-6H2,1-4H3/b11-10+
InChIKeyFFAJDHSEIAZHRN-ZHACJKMWSA-N
XLogP5.00
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Indole-3-glyoxylamide, N-isopropyl-1-methyl-
CID 41501
2-(4-Methylphenyl)-1-(1-pentylindol-3-YL)ethanone
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N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2068180
N-(2-hydroxyethyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 2348895
1H-Indol-1-ylphenylmethanone
CID 200283
2,2,2-trifluoroacetate; 4-[({1-[(4-carbamimidoylphenyl)methyl]-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium
CID 9827724
3-Amidinobenzylindole carboxamide 2
CID 9828698
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium
CID 9958024
Indole-based 6-membered lactam, 2
CID 15604675
indole-based 6-membered lactam, (R)-4a
CID 15604844
Pyrrolopyridine, 28
CID 16720205
Indole-based 6-membered lactam, 4d
CID 44143549

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide (CID 118344225) is N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide is CCc1cc2ccccn2c1C(=O)c1ccc(/C=C/C(C)N(CC)C(C)=O)cc1.
What is the InChIKey of N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide?
The InChIKey is FFAJDHSEIAZHRN-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-5-21-17-23-9-7-8-16-27(23)24(21)25(29)22-14-12-20(13-15-22)11-10-18(3)26(6-2)19(4)28/h7-18H,5-6H2,1-4H3/b11-10+.
What are the key properties of N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide?
N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide is sourced from PubChem (CID 118344225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).