1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C22H21N3O4 — CID 18587991

IUPAC1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H21N3O4/c1-23-20(27)18-13-14-7-2-5-10-17(14)25(18)19(26)11-6-12-24-21(28)15-8-3-4-9-16(15)22(24)29/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,27)
InChIKeyNLSXGSQUCPOZCA-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.77
Rot. Bonds5

About 1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide

1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 18587991) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID18587991
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H21N3O4/c1-23-20(27)18-13-14-7-2-5-10-17(14)25(18)19(26)11-6-12-24-21(28)15-8-3-4-9-16(15)22(24)29/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,27)
InChIKeyNLSXGSQUCPOZCA-UHFFFAOYSA-N
XLogP1.77
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440
(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429031
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363165
N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide
CID 10180240
(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428952
2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione
CID 2093701
(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428965
(2R)-N-methyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41428946
1-heptanoyl-2,3-dihydroindole-2-carboxylic acid
CID 43359818
2-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 9079094

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 18587991) is 1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is NLSXGSQUCPOZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-23-20(27)18-13-14-7-2-5-10-17(14)25(18)19(26)11-6-12-24-21(28)15-8-3-4-9-16(15)22(24)29/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,27).
What are the key properties of 1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18587991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).