2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide

C26H27N3O3 — CID 10432787

IUPAC2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(=O)Nn3c(C)ccc3C)cc12
InChIInChI=1S/C26H27N3O3/c1-16-6-10-21(11-7-16)28-19(4)26(20(5)30)23-14-22(12-13-24(23)28)32-15-25(31)27-29-17(2)8-9-18(29)3/h6-14H,15H2,1-5H3,(H,27,31)
InChIKeyTVRKAZIHVRMQIG-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.02
Rot. Bonds6

About 2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide

2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide (PubChem CID 10432787) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide.

Molecular Properties

Compound Name2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
PubChem CID10432787
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(=O)Nn3c(C)ccc3C)cc12
InChIInChI=1S/C26H27N3O3/c1-16-6-10-21(11-7-16)28-19(4)26(20(5)30)23-14-22(12-13-24(23)28)32-15-25(31)27-29-17(2)8-9-18(29)3/h6-14H,15H2,1-5H3,(H,27,31)
InChIKeyTVRKAZIHVRMQIG-UHFFFAOYSA-N
XLogP5.02
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 10321292
1-[[2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxyacetyl]amino]-3-phenylthiourea
CID 10005646
1-[2-methyl-1-(4-methylphenyl)-5-prop-2-enoxyindol-3-yl]ethanone
CID 10403677
1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone
CID 46891660
1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
CID 10026869
ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate
CID 125113663
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] acetate
CID 711025
1-[5-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
CID 23604789
ethyl 5-(2-ethoxy-2-oxoethoxy)-1-(4-ethoxyphenyl)-2-methylindole-3-carboxylate
CID 1038232
ethyl 5-[2-(dimethylamino)ethoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 23768342
ethyl 1-(3-chlorophenyl)-5-[2-[(3,5-dimethylpyrazol-1-yl)amino]-2-oxoethoxy]-2-methylindole-3-carboxylate
CID 10624582
ethyl 5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 51396686

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The IUPAC name of 2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide (CID 10432787) is 2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide.
What is the SMILES notation for 2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The canonical SMILES for 2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide is CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(=O)Nn3c(C)ccc3C)cc12.
What is the InChIKey of 2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The InChIKey is TVRKAZIHVRMQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-16-6-10-21(11-7-16)28-19(4)26(20(5)30)23-14-22(12-13-24(23)28)32-15-25(31)27-29-17(2)8-9-18(29)3/h6-14H,15H2,1-5H3,(H,27,31).
What are the key properties of 2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide?
2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide has a molecular weight of 429.52 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide is sourced from PubChem (CID 10432787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).