2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide

C22H24N2O2 — CID 7087464

IUPAC2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide
SMILESCCc1ccc(N(CC)C(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C22H24N2O2/c1-5-16-11-13-17(14-12-16)24(6-2)22(26)21(25)20-15(3)23(4)19-10-8-7-9-18(19)20/h7-14H,5-6H2,1-4H3
InChIKeyNTRQGCHGSBMGQE-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.28
Rot. Bonds5

About 2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide

2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide (PubChem CID 7087464) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide
PubChem CID7087464
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide
SMILESCCc1ccc(N(CC)C(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C22H24N2O2/c1-5-16-11-13-17(14-12-16)24(6-2)22(26)21(25)20-15(3)23(4)19-10-8-7-9-18(19)20/h7-14H,5-6H2,1-4H3
InChIKeyNTRQGCHGSBMGQE-UHFFFAOYSA-N
XLogP4.28
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 82294422
2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 7087278
N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide
CID 16806720
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione
CID 7087156
2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid
CID 82489066
1-(1,2-dimethylindol-3-yl)-2-(methylamino)butan-1-one
CID 82294421
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204429
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide
CID 51046752
N-ethyl-N-(4-ethylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046823
butyl 4-[[2-(1,2-dimethylindol-3-yl)-2-oxoacetyl]amino]benzoate
CID 7087358

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide (CID 7087464) is 2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide is CCc1ccc(N(CC)C(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide?
The InChIKey is NTRQGCHGSBMGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-5-16-11-13-17(14-12-16)24(6-2)22(26)21(25)20-15(3)23(4)19-10-8-7-9-18(19)20/h7-14H,5-6H2,1-4H3.
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide?
2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide has a molecular weight of 348.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 7087464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).