2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide

C21H21N3O3 — CID 54576533

IUPAC2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESCc1ccc2c(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c[nH]c2c1
InChIInChI=1S/C21H21N3O3/c1-14-2-7-17-18(13-22-19(17)12-14)20(25)21(26)23-15-3-5-16(6-4-15)24-8-10-27-11-9-24/h2-7,12-13,22H,8-11H2,1H3,(H,23,26)
InChIKeyRNGIUVJTLWSQDM-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.13
Rot. Bonds4

About 2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide

2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide (PubChem CID 54576533) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
PubChem CID54576533
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESCc1ccc2c(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c[nH]c2c1
InChIInChI=1S/C21H21N3O3/c1-14-2-7-17-18(13-22-19(17)12-14)20(25)21(26)23-15-3-5-16(6-4-15)24-8-10-27-11-9-24/h2-7,12-13,22H,8-11H2,1H3,(H,23,26)
InChIKeyRNGIUVJTLWSQDM-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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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide (CID 54576533) is 2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide is Cc1ccc2c(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c[nH]c2c1.
What is the InChIKey of 2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The InChIKey is RNGIUVJTLWSQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-2-7-17-18(13-22-19(17)12-14)20(25)21(26)23-15-3-5-16(6-4-15)24-8-10-27-11-9-24/h2-7,12-13,22H,8-11H2,1H3,(H,23,26).
What are the key properties of 2-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
2-(6-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-(6-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide is sourced from PubChem (CID 54576533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).