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

C26H31N3O2 — CID 7343333

IUPACN-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
SMILESCCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C26H31N3O2/c1-3-5-10-18(4-2)15-28-24(30)17-29-25(20-12-6-7-13-21(20)26(29)31)22-16-27-23-14-9-8-11-19(22)23/h6-9,11-14,16,18,25,27H,3-5,10,15,17H2,1-2H3,(H,28,30)/t18-,25-/m1/s1
InChIKeyVMRWVBSYVSRYBQ-IQGLISFBSA-N
MW417.55 g/mol
LogP5.05
Rot. Bonds9

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

N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide (PubChem CID 7343333) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
PubChem CID7343333
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
SMILESCCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C26H31N3O2/c1-3-5-10-18(4-2)15-28-24(30)17-29-25(20-12-6-7-13-21(20)26(29)31)22-16-27-23-14-9-8-11-19(22)23/h6-9,11-14,16,18,25,27H,3-5,10,15,17H2,1-2H3,(H,28,30)/t18-,25-/m1/s1
InChIKeyVMRWVBSYVSRYBQ-IQGLISFBSA-N
XLogP5.05
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(2R)-octan-2-yl]acetamide
CID 7343349
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide
CID 45133702
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
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
N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 86983437
3-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 41133281
3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide
CID 40963917
3-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 17020043
N-[(2S)-2-ethylhexyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879338
N-(2-ethylhexyl)-3-methyl-2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]pentanamide
CID 5197256

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The IUPAC name of N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide (CID 7343333) is N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The canonical SMILES for N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide is CCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The InChIKey is VMRWVBSYVSRYBQ-IQGLISFBSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-3-5-10-18(4-2)15-28-24(30)17-29-25(20-12-6-7-13-21(20)26(29)31)22-16-27-23-14-9-8-11-19(22)23/h6-9,11-14,16,18,25,27H,3-5,10,15,17H2,1-2H3,(H,28,30)/t18-,25-/m1/s1.
What are the key properties of N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide has a molecular weight of 417.55 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 7343333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).