3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide

C21H21N3O2 — CID 40963917

IUPAC3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C21H21N3O2/c1-23(2)19(25)11-12-24-20(15-8-3-4-9-16(15)21(24)26)17-13-22-18-10-6-5-7-14(17)18/h3-10,13,20,22H,11-12H2,1-2H3/t20-/m0/s1
InChIKeyYWJOXDUQTISPPR-FQEVSTJZSA-N
MW347.42 g/mol
LogP3.19
Rot. Bonds4

About 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide

3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide (PubChem CID 40963917) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide
PubChem CID40963917
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C21H21N3O2/c1-23(2)19(25)11-12-24-20(15-8-3-4-9-16(15)21(24)26)17-13-22-18-10-6-5-7-14(17)18/h3-10,13,20,22H,11-12H2,1-2H3/t20-/m0/s1
InChIKeyYWJOXDUQTISPPR-FQEVSTJZSA-N
XLogP3.19
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 41133281
3-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 17020043
2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)acetamide
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2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7343328
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide
CID 45133702
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
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2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(2R)-octan-2-yl]acetamide
CID 7343349
methyl 2-[[2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]-4-methylpentanoate
CID 4212870
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
CID 11898675
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 5181055
N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide (CID 40963917) is 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12.
What is the InChIKey of 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide?
The InChIKey is YWJOXDUQTISPPR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-23(2)19(25)11-12-24-20(15-8-3-4-9-16(15)21(24)26)17-13-22-18-10-6-5-7-14(17)18/h3-10,13,20,22H,11-12H2,1-2H3/t20-/m0/s1.
What are the key properties of 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide?
3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 40963917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).