2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide

C23H24N2O3 — CID 147575132

IUPAC2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide
SMILESC=CC(=O)Cc1cccc(-c2ccc(C(N)=O)c3[nH]c(CCOCC)cc23)c1
InChIInChI=1S/C23H24N2O3/c1-3-18(26)13-15-6-5-7-16(12-15)19-8-9-20(23(24)27)22-21(19)14-17(25-22)10-11-28-4-2/h3,5-9,12,14,25H,1,4,10-11,13H2,2H3,(H2,24,27)
InChIKeyFVIACFVMRPRUET-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.81
Rot. Bonds9

About 2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide

2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide (PubChem CID 147575132) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide
PubChem CID147575132
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide
SMILESC=CC(=O)Cc1cccc(-c2ccc(C(N)=O)c3[nH]c(CCOCC)cc23)c1
InChIInChI=1S/C23H24N2O3/c1-3-18(26)13-15-6-5-7-16(12-15)19-8-9-20(23(24)27)22-21(19)14-17(25-22)10-11-28-4-2/h3,5-9,12,14,25H,1,4,10-11,13H2,2H3,(H2,24,27)
InChIKeyFVIACFVMRPRUET-UHFFFAOYSA-N
XLogP3.81
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminophenyl)-2-(2-hydroxyethyl)-1H-indole-7-carboxamide;2-(2-hydroxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide
CID 159286254
4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide
CID 174783811
amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol
CID 163793761
4-[3-[3-(aminomethyl)-2-oxobut-3-enyl]phenyl]-1H-indole-7-carboxamide
CID 158596420
1-[3-(5-chloro-2-methylphenyl)phenyl]but-3-en-2-one
CID 153192328
4-[2-(2-oxobut-3-enyl)-4-pyridinyl]-1H-indole-7-carboxamide
CID 161253252
4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide
CID 174783705
7-(2-hydroxypropan-2-yl)-4-[3-[methyl(prop-2-enoyl)amino]phenyl]-9H-carbazole-1-carboxamide
CID 130362292
ethyl 2-[3-(2-hydroxyphenyl)phenyl]acetate
CID 23218458
7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide
CID 147501763
4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293857
[3,6,7,10,11-pentakis[[2-methyl-4-(2-oxobut-3-enyl)benzoyl]oxy]triphenylen-2-yl] 2-methyl-4-(2-oxobut-3-enyl)benzoate
CID 121297884

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide (CID 147575132) is 2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide is C=CC(=O)Cc1cccc(-c2ccc(C(N)=O)c3[nH]c(CCOCC)cc23)c1.
What is the InChIKey of 2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide?
The InChIKey is FVIACFVMRPRUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-18(26)13-15-6-5-7-16(12-15)19-8-9-20(23(24)27)22-21(19)14-17(25-22)10-11-28-4-2/h3,5-9,12,14,25H,1,4,10-11,13H2,2H3,(H2,24,27).
What are the key properties of 2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide?
2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 147575132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).