N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide

C22H21N3O4 — CID 53368524

IUPACN-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCN1C(=O)c2ccc(C(=O)NCCn3ccc4ccccc43)cc2C1=O
InChIInChI=1S/C22H21N3O4/c1-29-13-12-25-21(27)17-7-6-16(14-18(17)22(25)28)20(26)23-9-11-24-10-8-15-4-2-3-5-19(15)24/h2-8,10,14H,9,11-13H2,1H3,(H,23,26)
InChIKeyQXDXUUMYMLCWKH-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.31
Rot. Bonds7

About N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide

N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 53368524) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID53368524
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCN1C(=O)c2ccc(C(=O)NCCn3ccc4ccccc43)cc2C1=O
InChIInChI=1S/C22H21N3O4/c1-29-13-12-25-21(27)17-7-6-16(14-18(17)22(25)28)20(26)23-9-11-24-10-8-15-4-2-3-5-19(15)24/h2-8,10,14H,9,11-13H2,1H3,(H,23,26)
InChIKeyQXDXUUMYMLCWKH-UHFFFAOYSA-N
XLogP2.31
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.31
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-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide
CID 108750516
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646
2-(3-methoxypropyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108537943
3-ethoxy-N-(2-indol-1-ylethyl)benzamide
CID 108726430
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
2-(3-methoxypropyl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 32974762
N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide
CID 108726376
N-(2-benzylsulfanylethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470310
N-(2-indol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 71703482
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide
CID 108726459

Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide (CID 53368524) is N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide is COCCN1C(=O)c2ccc(C(=O)NCCn3ccc4ccccc43)cc2C1=O.
What is the InChIKey of N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is QXDXUUMYMLCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-29-13-12-25-21(27)17-7-6-16(14-18(17)22(25)28)20(26)23-9-11-24-10-8-15-4-2-3-5-19(15)24/h2-8,10,14H,9,11-13H2,1H3,(H,23,26).
What are the key properties of N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide?
N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 53368524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).