N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide

C26H24N2O3 — CID 3978712

IUPACN-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1C
InChIInChI=1S/C26H24N2O3/c1-18-9-8-13-23(19(18)2)27-26(30)16-28-15-22(21-12-6-7-14-24(21)28)25(29)17-31-20-10-4-3-5-11-20/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyZWHBYPAVHHDTEF-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.16
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide (PubChem CID 3978712) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
PubChem CID3978712
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1C
InChIInChI=1S/C26H24N2O3/c1-18-9-8-13-23(19(18)2)27-26(30)16-28-15-22(21-12-6-7-14-24(21)28)25(29)17-31-20-10-4-3-5-11-20/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyZWHBYPAVHHDTEF-UHFFFAOYSA-N
XLogP5.16
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2953381
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 4114472
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
N-(oxolan-2-ylmethyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 4212528
1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
CID 21380759
N-(2-fluorophenyl)-2-(3-propanoylindol-1-yl)acetamide
CID 955255
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16935862
1-(2,3-dimethylphenyl)-3-[(2-phenoxyacetyl)amino]thiourea
CID 40632106
2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380761
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 5077099
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108888843
methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate
CID 142695112

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide (CID 3978712) is N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide is Cc1cccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide?
The InChIKey is ZWHBYPAVHHDTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-18-9-8-13-23(19(18)2)27-26(30)16-28-15-22(21-12-6-7-14-24(21)28)25(29)17-31-20-10-4-3-5-11-20/h3-15H,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide has a molecular weight of 412.49 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide is sourced from PubChem (CID 3978712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).