2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide

C25H29N3O2 — CID 3966369

IUPAC2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1C(=O)c2ccccc2C1c1c(C)n(C)c2ccccc12
InChIInChI=1S/C25H29N3O2/c1-6-27(7-2)24(29)17(4)28-23(18-12-8-9-13-19(18)25(28)30)22-16(3)26(5)21-15-11-10-14-20(21)22/h8-15,17,23H,6-7H2,1-5H3
InChIKeyZQZKEDDDKDGCSR-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.29
Rot. Bonds5

About 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide

2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide (PubChem CID 3966369) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide
PubChem CID3966369
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1C(=O)c2ccccc2C1c1c(C)n(C)c2ccccc12
InChIInChI=1S/C25H29N3O2/c1-6-27(7-2)24(29)17(4)28-23(18-12-8-9-13-19(18)25(28)30)22-16(3)26(5)21-15-11-10-14-20(21)22/h8-15,17,23H,6-7H2,1-5H3
InChIKeyZQZKEDDDKDGCSR-UHFFFAOYSA-N
XLogP4.29
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
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-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide
CID 3991047
N-cyclododecyl-2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-3-methylpentanamide
CID 4002697
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-3-methyl-N-(4-phenylbutan-2-yl)pentanamide
CID 5184957
3-(1,2-dimethylindol-3-yl)-2-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one
CID 4026457
(3S)-2-butyl-3-(1,2-dimethylindol-3-yl)-3H-isoindol-1-one
CID 41031698
methyl 2-[(1S)-1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate
CID 7346320
N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide
CID 3988320
(3R)-2-benzyl-3-(1,2-dimethylindol-3-yl)-3H-isoindol-1-one
CID 41031701
2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3980946
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-octan-2-ylacetamide
CID 4667572
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[4-(3,5-dimethylpiperidin-1-yl)phenyl]-4-methylpentanamide
CID 4302750
(3R)-3-(1,2-dimethylindol-3-yl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3H-isoindol-1-one
CID 7338482

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide?
The IUPAC name of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide (CID 3966369) is 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N1C(=O)c2ccccc2C1c1c(C)n(C)c2ccccc12.
What is the InChIKey of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide?
The InChIKey is ZQZKEDDDKDGCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-6-27(7-2)24(29)17(4)28-23(18-12-8-9-13-19(18)25(28)30)22-16(3)26(5)21-15-11-10-14-20(21)22/h8-15,17,23H,6-7H2,1-5H3.
What are the key properties of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide?
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide has a molecular weight of 403.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 3966369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).