N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide

C23H25N3O2 — CID 7338454

IUPACN,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
SMILESCCN(CC)C(=O)CN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-4-25(5-2)21(27)15-26-22(17-11-6-7-12-18(17)23(26)28)19-14-24(3)20-13-9-8-10-16(19)20/h6-14,22H,4-5,15H2,1-3H3/t22-/m1/s1
InChIKeyNMTSHLVSQYPYIG-JOCHJYFZSA-N
MW375.47 g/mol
LogP3.59
Rot. Bonds5

About N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide

N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide (PubChem CID 7338454) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
PubChem CID7338454
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
SMILESCCN(CC)C(=O)CN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-4-25(5-2)21(27)15-26-22(17-11-6-7-12-18(17)23(26)28)19-14-24(3)20-13-9-8-10-16(19)20/h6-14,22H,4-5,15H2,1-3H3/t22-/m1/s1
InChIKeyNMTSHLVSQYPYIG-JOCHJYFZSA-N
XLogP3.59
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-[2-[[2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]ethyl]azanium
CID 7338441
(3R)-3-(1-methylindol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
CID 40964690
N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 3888160
(3S)-2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one
CID 7345490
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide
CID 3966369
ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 23823027
3-(1-methylindol-3-yl)-2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 5131996
(3S)-3-(1-methylindol-3-yl)-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3H-isoindol-1-one
CID 41168520
(1S,2S)-N-methyl-1-(1-methylindol-3-yl)-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide
CID 139048963
(2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 41168519
methyl 2-[(1S)-1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate
CID 7346320
ethyl 4-[[3-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanoyl]amino]piperidine-1-carboxylate
CID 3541094

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide (CID 7338454) is N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide is CCN(CC)C(=O)CN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12.
What is the InChIKey of N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The InChIKey is NMTSHLVSQYPYIG-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-4-25(5-2)21(27)15-26-22(17-11-6-7-12-18(17)23(26)28)19-14-24(3)20-13-9-8-10-16(19)20/h6-14,22H,4-5,15H2,1-3H3/t22-/m1/s1.
What are the key properties of N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 7338454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).