N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

C23H25N3O3 — CID 46968435

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)c2C1=O
InChIInChI=1S/C23H25N3O3/c1-14-15(2)25-20-8-7-16(11-19(14)20)12-24-22(27)18-6-4-5-17-13-26(9-10-29-3)23(28)21(17)18/h4-8,11,25H,9-10,12-13H2,1-3H3,(H,24,27)
InChIKeyAJNGBGYUHUDEOB-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.32
Rot. Bonds6

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 46968435) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID46968435
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)c2C1=O
InChIInChI=1S/C23H25N3O3/c1-14-15(2)25-20-8-7-16(11-19(14)20)12-24-22(27)18-6-4-5-17-13-26(9-10-29-3)23(28)21(17)18/h4-8,11,25H,9-10,12-13H2,1-3H3,(H,24,27)
InChIKeyAJNGBGYUHUDEOB-UHFFFAOYSA-N
XLogP3.32
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 5308909
N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3238535
N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46253514
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25487904
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 56875537
2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3H-isoindol-1-one
CID 141174285
ethyl (3R)-3-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]-3-(4-methylphenyl)propanoate
CID 92661379
N-butyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide
CID 20855915
methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350
2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide
CID 3245754
methyl N-[4-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 60517718

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (CID 46968435) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)c2C1=O.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is AJNGBGYUHUDEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14-15(2)25-20-8-7-16(11-19(14)20)12-24-22(27)18-6-4-5-17-13-26(9-10-29-3)23(28)21(17)18/h4-8,11,25H,9-10,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 46968435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).