2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide

C22H23N3O2 — CID 56861398

IUPAC2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CC2NC(=O)c3ccccc32)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C22H23N3O2/c1-12-8-15(21-18(9-12)13(2)14(3)24-21)11-23-20(26)10-19-16-6-4-5-7-17(16)22(27)25-19/h4-9,19,24H,10-11H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyRZTJNVRGAVALTQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.58
Rot. Bonds4

About 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide

2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide (PubChem CID 56861398) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
PubChem CID56861398
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CC2NC(=O)c3ccccc32)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C22H23N3O2/c1-12-8-15(21-18(9-12)13(2)14(3)24-21)11-23-20(26)10-19-16-6-4-5-7-17(16)22(27)25-19/h4-9,19,24H,10-11H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyRZTJNVRGAVALTQ-UHFFFAOYSA-N
XLogP3.58
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 126828535
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56748071
N-[(2,6-dimethoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126376
N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95134592
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 26330947
2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56878946
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 40535831
1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
CID 47085396
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propanamide
CID 98474413
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56742276
2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56877833
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126588

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide (CID 56861398) is 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The canonical SMILES for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide is Cc1cc(CNC(=O)CC2NC(=O)c3ccccc32)c2[nH]c(C)c(C)c2c1.
What is the InChIKey of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The InChIKey is RZTJNVRGAVALTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-12-8-15(21-18(9-12)13(2)14(3)24-21)11-23-20(26)10-19-16-6-4-5-7-17(16)22(27)25-19/h4-9,19,24H,10-11H2,1-3H3,(H,23,26)(H,25,27).
What are the key properties of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide is sourced from PubChem (CID 56861398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).