N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide

C21H23N3O5 — CID 113211325

IUPACN-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
SMILESCOc1cc2[nH]cc(CC(=O)Nc3cccc(NC(C)=O)c3)c2c(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-12(25)23-14-6-5-7-15(9-14)24-18(26)8-13-11-22-16-10-17(27-2)20(28-3)21(29-4)19(13)16/h5-7,9-11,22H,8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyRLUMUFJEPBXYCU-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.33
Rot. Bonds7

About N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide

N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide (PubChem CID 113211325) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
PubChem CID113211325
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
SMILESCOc1cc2[nH]cc(CC(=O)Nc3cccc(NC(C)=O)c3)c2c(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-12(25)23-14-6-5-7-15(9-14)24-18(26)8-13-11-22-16-10-17(27-2)20(28-3)21(29-4)19(13)16/h5-7,9-11,22H,8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyRLUMUFJEPBXYCU-UHFFFAOYSA-N
XLogP3.33
TPSA101.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211295
N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211220
N-(3-acetamidophenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861296
N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207001
2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 110859940
N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372
N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 137464589
N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2406485
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987482
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide (CID 113211325) is N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide is COc1cc2[nH]cc(CC(=O)Nc3cccc(NC(C)=O)c3)c2c(OC)c1OC.
What is the InChIKey of N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide?
The InChIKey is RLUMUFJEPBXYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-12(25)23-14-6-5-7-15(9-14)24-18(26)8-13-11-22-16-10-17(27-2)20(28-3)21(29-4)19(13)16/h5-7,9-11,22H,8H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide?
N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide has a molecular weight of 397.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 113211325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).