(2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide

C22H23N3O3 — CID 41168499

IUPAC(2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C22H23N3O3/c1-14(21(26)23-11-12-28-2)25-20(16-8-3-4-9-17(16)22(25)27)18-13-24-19-10-6-5-7-15(18)19/h3-10,13-14,20,24H,11-12H2,1-2H3,(H,23,26)/t14-,20-/m1/s1
InChIKeyIWSMTQWWTFTWQW-JLTOFOAXSA-N
MW377.44 g/mol
LogP2.86
Rot. Bonds6

About (2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide

(2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 41168499) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide
PubChem CID41168499
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C22H23N3O3/c1-14(21(26)23-11-12-28-2)25-20(16-8-3-4-9-17(16)22(25)27)18-13-24-19-10-6-5-7-15(18)19/h3-10,13-14,20,24H,11-12H2,1-2H3,(H,23,26)/t14-,20-/m1/s1
InChIKeyIWSMTQWWTFTWQW-JLTOFOAXSA-N
XLogP2.86
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-(diethylamino)ethyl]-2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 40575753
(2S)-N-[2-(diethylamino)ethyl]-2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 40575761
N-(2-methoxyethyl)-2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 4571765
2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)acetamide
CID 7336774
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 4575435
(3S)-2-[(2S)-1-hydroxypropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 7341830
N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide
CID 4034929
(3R)-3-(1H-indol-3-yl)-2-[(1R)-1-phenylethyl]-3H-isoindol-1-one
CID 41031632
(3R)-3-(1H-indol-3-yl)-2-[(1S)-1-phenylethyl]-3H-isoindol-1-one
CID 41031631
5-chloro-N'-[2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide
CID 5145417
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(4-nitrophenyl)sulfonylpropanehydrazide
CID 3992007
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide
CID 45133702

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of (2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide (CID 41168499) is (2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for (2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for (2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is IWSMTQWWTFTWQW-JLTOFOAXSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14(21(26)23-11-12-28-2)25-20(16-8-3-4-9-17(16)22(25)27)18-13-24-19-10-6-5-7-15(18)19/h3-10,13-14,20,24H,11-12H2,1-2H3,(H,23,26)/t14-,20-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide?
(2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 377.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 41168499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).