2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide

C19H15N3O3 — CID 69397355

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESNC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15N3O3/c20-17(23)16(9-11-10-21-15-8-4-3-5-12(11)15)22-18(24)13-6-1-2-7-14(13)19(22)25/h1-8,10,16,21H,9H2,(H2,20,23)
InChIKeyZHDGYPYRFMFPRO-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.86
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide

2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 69397355) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID69397355
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESNC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15N3O3/c20-17(23)16(9-11-10-21-15-8-4-3-5-12(11)15)22-18(24)13-6-1-2-7-14(13)19(22)25/h1-8,10,16,21H,9H2,(H2,20,23)
InChIKeyZHDGYPYRFMFPRO-UHFFFAOYSA-N
XLogP1.86
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 16752637
2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid
CID 57369710
methyl (2S)-2-[4-(2-aminoethoxy)-1,3-dioxoisoindol-2-yl]-3-(1H-indol-3-yl)propanoate
CID 156634951
(2S)-2-(1H-indol-3-ylmethyl)butanamide
CID 155450153
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
CID 12504745
(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 5207428
methyl (2S)-3-(1H-indol-3-yl)-2-pyrrol-1-ylpropanoate
CID 102183905
methyl 3-[5-(5-amino-5-oxopent-1-ynyl)-1H-indol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 143645845
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-(1H-indol-3-yl)propanoic acid
CID 6589729

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide (CID 69397355) is 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide is NC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is ZHDGYPYRFMFPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c20-17(23)16(9-11-10-21-15-8-4-3-5-12(11)15)22-18(24)13-6-1-2-7-14(13)19(22)25/h1-8,10,16,21H,9H2,(H2,20,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 333.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 69397355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).