2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide

C21H23N3O2 — CID 8729683

IUPAC2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-14-8-10-16(11-9-14)23-20(26)13-24(3)12-19(25)21-15(2)22-18-7-5-4-6-17(18)21/h4-11,22H,12-13H2,1-3H3,(H,23,26)
InChIKeyDJZVQBPFIDYCTG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.54
Rot. Bonds6

About 2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 8729683) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID8729683
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-14-8-10-16(11-9-14)23-20(26)13-24(3)12-19(25)21-15(2)22-18-7-5-4-6-17(18)21/h4-11,22H,12-13H2,1-3H3,(H,23,26)
InChIKeyDJZVQBPFIDYCTG-UHFFFAOYSA-N
XLogP3.54
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]acetamide
CID 9167362
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]acetamide
CID 16555188
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9295801
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027114
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 8662949
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9196744
2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795857
2-[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795859

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide (CID 8729683) is 2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)c2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is DJZVQBPFIDYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-8-10-16(11-9-14)23-20(26)13-24(3)12-19(25)21-15(2)22-18-7-5-4-6-17(18)21/h4-11,22H,12-13H2,1-3H3,(H,23,26).
What are the key properties of 2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8729683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).