2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide

C23H25N3O2 — CID 45133702

IUPAC2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1C(=O)c2ccccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-15(2)11-12-24-21(27)14-26-22(17-8-3-4-9-18(17)23(26)28)19-13-25-20-10-6-5-7-16(19)20/h3-10,13,15,22,25H,11-12,14H2,1-2H3,(H,24,27)
InChIKeyTXSXERABWWLWHP-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.88
Rot. Bonds6

About 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide

2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide (PubChem CID 45133702) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide
PubChem CID45133702
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1C(=O)c2ccccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-15(2)11-12-24-21(27)14-26-22(17-8-3-4-9-18(17)23(26)28)19-13-25-20-10-6-5-7-16(19)20/h3-10,13,15,22,25H,11-12,14H2,1-2H3,(H,24,27)
InChIKeyTXSXERABWWLWHP-UHFFFAOYSA-N
XLogP3.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)acetamide
CID 7336774
2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7343328
2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(2R)-octan-2-yl]acetamide
CID 7343349
N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
CID 7343333
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
3-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 41133281
N-(3-methylbutyl)-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetamide
CID 3602254
3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide
CID 40963917
(3S)-2-[(2S)-1-hydroxypropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 7341830
(2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide
CID 41168499
(2R)-N-[2-(diethylamino)ethyl]-2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 40575753

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide (CID 45133702) is 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN1C(=O)c2ccccc2C1c1c[nH]c2ccccc12.
What is the InChIKey of 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is TXSXERABWWLWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)11-12-24-21(27)14-26-22(17-8-3-4-9-18(17)23(26)28)19-13-25-20-10-6-5-7-16(19)20/h3-10,13,15,22,25H,11-12,14H2,1-2H3,(H,24,27).
What are the key properties of 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide?
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 45133702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).