N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

C26H29N3O6 — CID 18562365

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCCOc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1OC
InChIInChI=1S/C26H29N3O6/c1-3-35-22-9-8-18(14-23(22)33-2)15-27-26(32)25(31)20-16-29(21-7-5-4-6-19(20)21)17-24(30)28-10-12-34-13-11-28/h4-9,14,16H,3,10-13,15,17H2,1-2H3,(H,27,32)
InChIKeyYAQGBRVTNSDNIW-UHFFFAOYSA-N
MW479.53 g/mol
LogP2.41
Rot. Bonds9

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 18562365) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
PubChem CID18562365
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCCOc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1OC
InChIInChI=1S/C26H29N3O6/c1-3-35-22-9-8-18(14-23(22)33-2)15-27-26(32)25(31)20-16-29(21-7-5-4-6-19(20)21)17-24(30)28-10-12-34-13-11-28/h4-9,14,16H,3,10-13,15,17H2,1-2H3,(H,27,32)
InChIKeyYAQGBRVTNSDNIW-UHFFFAOYSA-N
XLogP2.41
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2,2,2-trifluoroethoxy)-1H-indol-3-yl]ethane-1,2-dione
CID 506246
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
1-[2-(2-methoxyphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 675068
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 5304336
4-{2-[6-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl]ethyl}morpholine
CID 11676975
5-(benzyloxy)-6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 24768495
4-{2-[5-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl]ethyl}morpholine
CID 24768502
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506242
1-(4-benzoylpiperazin-1-yl)-2-(4-ethoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506248
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506251
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506330
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164614014

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (CID 18562365) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is CCOc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is YAQGBRVTNSDNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-3-35-22-9-8-18(14-23(22)33-2)15-27-26(32)25(31)20-16-29(21-7-5-4-6-19(20)21)17-24(30)28-10-12-34-13-11-28/h4-9,14,16H,3,10-13,15,17H2,1-2H3,(H,27,32).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 479.53 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 18562365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).