2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide

C21H21N3O3 — CID 54771354

IUPAC2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESCc1cccc2c(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c[nH]c12
InChIInChI=1S/C21H21N3O3/c1-14-3-2-4-17-18(13-22-19(14)17)20(25)21(26)23-15-5-7-16(8-6-15)24-9-11-27-12-10-24/h2-8,13,22H,9-12H2,1H3,(H,23,26)
InChIKeyHMRRGETUOICMAG-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.13
Rot. Bonds4

About 2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide

2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide (PubChem CID 54771354) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
PubChem CID54771354
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESCc1cccc2c(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c[nH]c12
InChIInChI=1S/C21H21N3O3/c1-14-3-2-4-17-18(13-22-19(14)17)20(25)21(26)23-15-5-7-16(8-6-15)24-9-11-27-12-10-24/h2-8,13,22H,9-12H2,1H3,(H,23,26)
InChIKeyHMRRGETUOICMAG-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

Indoramin
CID 33625
Jwh-200
CID 10045570
Indoramin hydrochloride
CID 38102
(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methylnaphthalen-1-ylmethanone
CID 10250276
Rhetsinine
CID 99652
4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
CID 5311258
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
3-(3-Dimethylaminopropionyl)indole
CID 32750
Indole, 3-((diethylamino)acetyl)-
CID 56375
Indole-3-glyoxylamide, N-isopropyl-1-methyl-
CID 41501

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide (CID 54771354) is 2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide is Cc1cccc2c(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c[nH]c12.
What is the InChIKey of 2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The InChIKey is HMRRGETUOICMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-3-2-4-17-18(13-22-19(14)17)20(25)21(26)23-15-5-7-16(8-6-15)24-9-11-27-12-10-24/h2-8,13,22H,9-12H2,1H3,(H,23,26).
What are the key properties of 2-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
2-(7-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-(7-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide is sourced from PubChem (CID 54771354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).