benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate

C19H19NO5 — CID 54289473

IUPACbenzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate
SMILESCOc1cc2c(cc1OC)N(CC(=O)OCc1ccccc1)C(=O)C2
InChIInChI=1S/C19H19NO5/c1-23-16-8-14-9-18(21)20(15(14)10-17(16)24-2)11-19(22)25-12-13-6-4-3-5-7-13/h3-8,10H,9,11-12H2,1-2H3
InChIKeyRWMHKZIXPZTLOV-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.34
Rot. Bonds6

About benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate

benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate (PubChem CID 54289473) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate
PubChem CID54289473
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namebenzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate
SMILESCOc1cc2c(cc1OC)N(CC(=O)OCc1ccccc1)C(=O)C2
InChIInChI=1S/C19H19NO5/c1-23-16-8-14-9-18(21)20(15(14)10-17(16)24-2)11-19(22)25-12-13-6-4-3-5-7-13/h3-8,10H,9,11-12H2,1-2H3
InChIKeyRWMHKZIXPZTLOV-UHFFFAOYSA-N
XLogP2.34
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(2,3-dioxo-5,6-dihydro-4H-1-benzazocin-1-yl)acetate
CID 13499444
benzyl 1,3-dioxo-2-(2-oxo-2-phenylmethoxyethyl)isoindole-5-carboxylate
CID 1310453
benzyl 2-(2,4-dioxo-5-phenyl-1,3,5-benzotriazepin-1-yl)acetate
CID 102579726
benzyl 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671802
benzyl 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7666486
benzyl (Z)-6-(3,4-dimethoxyphenyl)hex-5-enoate
CID 146568348
benzyl 2-[5-(methylsulfonylmethyl)-1,3-dioxoisoindol-2-yl]acetate
CID 158961334
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl 7-formyl-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 146564812
benzyl 2-[3-amino-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)-4,5-dihydro-1-benzazepin-3-yl]acetate
CID 70107223
benzyl 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)acetate
CID 53388993
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate?
The IUPAC name of benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate (CID 54289473) is benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate.
What is the SMILES notation for benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate?
The canonical SMILES for benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate is COc1cc2c(cc1OC)N(CC(=O)OCc1ccccc1)C(=O)C2.
What is the InChIKey of benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate?
The InChIKey is RWMHKZIXPZTLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-23-16-8-14-9-18(21)20(15(14)10-17(16)24-2)11-19(22)25-12-13-6-4-3-5-7-13/h3-8,10H,9,11-12H2,1-2H3.
What are the key properties of benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate?
benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate has a molecular weight of 341.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(5,6-dimethoxy-2-oxo-3H-indol-1-yl)acetate is sourced from PubChem (CID 54289473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).