2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide

C26H31N3O4 — CID 55983161

IUPAC2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)NCC(C)CN4CCCCC4)cc3C2=O)cc1
InChIInChI=1S/C26H31N3O4/c1-3-33-21-10-8-20(9-11-21)29-25(31)22-12-7-19(15-23(22)26(29)32)24(30)27-16-18(2)17-28-13-5-4-6-14-28/h7-12,15,18H,3-6,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyKTYJCLGSERAKCO-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.74
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide

2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55983161) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID55983161
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)NCC(C)CN4CCCCC4)cc3C2=O)cc1
InChIInChI=1S/C26H31N3O4/c1-3-33-21-10-8-20(9-11-21)29-25(31)22-12-7-19(15-23(22)26(29)32)24(30)27-16-18(2)17-28-13-5-4-6-14-28/h7-12,15,18H,3-6,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyKTYJCLGSERAKCO-UHFFFAOYSA-N
XLogP3.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-N-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)isoindole-5-carboxamide
CID 56508953
2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 867582
2-(4-ethoxyphenyl)-1,3-dioxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]isoindole-5-carboxamide
CID 27741644
N-(3-aminopropyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119407220
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55834264
2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 26659419
2-(4-ethoxyphenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55587486
N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26662314
2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17359183
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2590106
2-(4-ethoxyphenyl)-N-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 27166980
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 24610188

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide (CID 55983161) is 2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide is CCOc1ccc(N2C(=O)c3ccc(C(=O)NCC(C)CN4CCCCC4)cc3C2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is KTYJCLGSERAKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-3-33-21-10-8-20(9-11-21)29-25(31)22-12-7-19(15-23(22)26(29)32)24(30)27-16-18(2)17-28-13-5-4-6-14-28/h7-12,15,18H,3-6,13-14,16-17H2,1-2H3,(H,27,30).
What are the key properties of 2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55983161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).