2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide

C26H27N3O4 — CID 10321292

IUPAC2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC(=O)Nn4c(C)ccc4C)ccc32)cc1
InChIInChI=1S/C26H27N3O4/c1-16-6-7-17(2)29(16)27-25(31)15-33-22-12-13-24-23(14-22)26(19(4)30)18(3)28(24)20-8-10-21(32-5)11-9-20/h6-14H,15H2,1-5H3,(H,27,31)
InChIKeyNFCHFLAMZDMWAG-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.72
Rot. Bonds7

About 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide

2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide (PubChem CID 10321292) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide.

Molecular Properties

Compound Name2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
PubChem CID10321292
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC(=O)Nn4c(C)ccc4C)ccc32)cc1
InChIInChI=1S/C26H27N3O4/c1-16-6-7-17(2)29(16)27-25(31)15-33-22-12-13-24-23(14-22)26(19(4)30)18(3)28(24)20-8-10-21(32-5)11-9-20/h6-14H,15H2,1-5H3,(H,27,31)
InChIKeyNFCHFLAMZDMWAG-UHFFFAOYSA-N
XLogP4.72
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 10432787
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] acetate
CID 711025
1-[[2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxyacetyl]amino]-3-phenylthiourea
CID 10005646
1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone
CID 46891660
1-[2-methyl-1-(4-methylphenyl)-5-prop-2-enoxyindol-3-yl]ethanone
CID 10403677
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 3-bromobenzoate
CID 3773744
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate
CID 125113663
1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone
CID 46891659
ethyl 5-(2-ethoxy-2-oxoethoxy)-1-(4-ethoxyphenyl)-2-methylindole-3-carboxylate
CID 1038232
ethyl 1-(3-chlorophenyl)-5-[2-[(3,5-dimethylpyrazol-1-yl)amino]-2-oxoethoxy]-2-methylindole-3-carboxylate
CID 10624582
1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
CID 10026869

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The IUPAC name of 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide (CID 10321292) is 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide.
What is the SMILES notation for 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The canonical SMILES for 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide is COc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC(=O)Nn4c(C)ccc4C)ccc32)cc1.
What is the InChIKey of 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The InChIKey is NFCHFLAMZDMWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-16-6-7-17(2)29(16)27-25(31)15-33-22-12-13-24-23(14-22)26(19(4)30)18(3)28(24)20-8-10-21(32-5)11-9-20/h6-14H,15H2,1-5H3,(H,27,31).
What are the key properties of 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide?
2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide has a molecular weight of 445.52 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide is sourced from PubChem (CID 10321292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).