N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

C24H25N3O5 — CID 16801367

IUPACN-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C24H25N3O5/c1-16-7-8-21(31-2)19(13-16)25-24(30)23(29)18-14-27(20-6-4-3-5-17(18)20)15-22(28)26-9-11-32-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,30)
InChIKeyDTEKKMCCFLYBMA-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.64
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 16801367) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
PubChem CID16801367
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C24H25N3O5/c1-16-7-8-21(31-2)19(13-16)25-24(30)23(29)18-14-27(20-6-4-3-5-17(18)20)15-22(28)26-9-11-32-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,30)
InChIKeyDTEKKMCCFLYBMA-UHFFFAOYSA-N
XLogP2.64
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085757
N-(4-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 18562361
N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 40506618
N-(4-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085759
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 16812432
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 40506678
N-(2-ethylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 4535551
N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162350
diethyl-[2-[[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetyl]amino]ethyl]azanium
CID 7162351
N-[2-(diethylamino)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162352
N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902511
N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 30288584

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (CID 16801367) is N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is COc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is DTEKKMCCFLYBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-16-7-8-21(31-2)19(13-16)25-24(30)23(29)18-14-27(20-6-4-3-5-17(18)20)15-22(28)26-9-11-32-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,30).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 435.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 16801367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).