2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C21H23N3O5 — CID 71828241

IUPAC2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2ccc3c(NC(C)=O)cccc32)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-13(25)22-16-6-5-7-17-15(16)8-9-24(17)12-20(26)23-14-10-18(27-2)21(29-4)19(11-14)28-3/h5-11H,12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyFLCBXLYYZWXMMD-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.26
Rot. Bonds7

About 2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 71828241) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID71828241
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2ccc3c(NC(C)=O)cccc32)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-13(25)22-16-6-5-7-17-15(16)8-9-24(17)12-20(26)23-14-10-18(27-2)21(29-4)19(11-14)28-3/h5-11H,12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyFLCBXLYYZWXMMD-UHFFFAOYSA-N
XLogP3.26
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidoindol-1-yl)-N-(3-acetylphenyl)acetamide
CID 71828766
2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 71827899
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435
methyl (2S)-2-[[2-(4-acetamidoindol-1-yl)acetyl]amino]-3-methylbutanoate
CID 91638079
2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 56763638
2-(4-acetamidoindol-1-yl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 121238755
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 39314339
N-(1H-indol-6-yl)-2-(4-methoxyindol-1-yl)acetamide
CID 52905291
N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide
CID 87042646

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 71828241) is 2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2ccc3c(NC(C)=O)cccc32)cc(OC)c1OC.
What is the InChIKey of 2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is FLCBXLYYZWXMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-13(25)22-16-6-5-7-17-15(16)8-9-24(17)12-20(26)23-14-10-18(27-2)21(29-4)19(11-14)28-3/h5-11H,12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 397.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 71828241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).