2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide

C21H21N3O3 — CID 39041089

IUPAC2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O3/c1-14-19(17-4-2-3-5-18(17)22-14)20(25)21(26)23-15-6-8-16(9-7-15)24-10-12-27-13-11-24/h2-9,22H,10-13H2,1H3,(H,23,26)
InChIKeyCPONERBSVUWNLB-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.13
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide

2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide (PubChem CID 39041089) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
PubChem CID39041089
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O3/c1-14-19(17-4-2-3-5-18(17)22-14)20(25)21(26)23-15-6-8-16(9-7-15)24-10-12-27-13-11-24/h2-9,22H,10-13H2,1H3,(H,23,26)
InChIKeyCPONERBSVUWNLB-UHFFFAOYSA-N
XLogP3.13
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide
CID 56557702
2-[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795859
2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795857
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38330775
1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 166210029
1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 4916613
2-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
CID 24629987
N-(9H-fluoren-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 5297197
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7374502
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 38840945
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-phenoxyphenyl)acetamide
CID 44596683

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide (CID 39041089) is 2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The InChIKey is CPONERBSVUWNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-19(17-4-2-3-5-18(17)22-14)20(25)21(26)23-15-6-8-16(9-7-15)24-10-12-27-13-11-24/h2-9,22H,10-13H2,1H3,(H,23,26).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide has a molecular weight of 363.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide is sourced from PubChem (CID 39041089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).