1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone

C20H21NO4 — CID 110447754

IUPAC1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)cc(-c2ccc3c(c2)CCN3C(C)=O)c1OC
InChIInChI=1S/C20H21NO4/c1-12(22)16-10-17(20(25-4)19(11-16)24-3)14-5-6-18-15(9-14)7-8-21(18)13(2)23/h5-6,9-11H,7-8H2,1-4H3
InChIKeyINYWIXXHCRNTKH-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.48
Rot. Bonds4

About 1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone

1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone (PubChem CID 110447754) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone
PubChem CID110447754
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)cc(-c2ccc3c(c2)CCN3C(C)=O)c1OC
InChIInChI=1S/C20H21NO4/c1-12(22)16-10-17(20(25-4)19(11-16)24-3)14-5-6-18-15(9-14)7-8-21(18)13(2)23/h5-6,9-11H,7-8H2,1-4H3
InChIKeyINYWIXXHCRNTKH-UHFFFAOYSA-N
XLogP3.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 34258783
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1458222
1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone
CID 110447602
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
CID 53109968
1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53089926
1-[6-[5-[[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methyl]-2-methoxyphenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 165423064
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 110737370
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
CID 84556507
1-[5-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydroindol-1-yl]ethanone
CID 53109962
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone?
The IUPAC name of 1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone (CID 110447754) is 1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone?
The canonical SMILES for 1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone is COc1cc(C(C)=O)cc(-c2ccc3c(c2)CCN3C(C)=O)c1OC.
What is the InChIKey of 1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone?
The InChIKey is INYWIXXHCRNTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-12(22)16-10-17(20(25-4)19(11-16)24-3)14-5-6-18-15(9-14)7-8-21(18)13(2)23/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone?
1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone has a molecular weight of 339.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone is sourced from PubChem (CID 110447754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).