(3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone

C19H21NO3 — CID 776356

IUPAC(3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCc3ccccc32)cc1OCC
InChIInChI=1S/C19H21NO3/c1-3-22-17-10-9-15(13-18(17)23-4-2)19(21)20-12-11-14-7-5-6-8-16(14)20/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyWYVXVGVGQCQVKZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.69
Rot. Bonds5

About (3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone

(3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 776356) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID776356
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCc3ccccc32)cc1OCC
InChIInChI=1S/C19H21NO3/c1-3-22-17-10-9-15(13-18(17)23-4-2)19(21)20-12-11-14-7-5-6-8-16(14)20/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyWYVXVGVGQCQVKZ-UHFFFAOYSA-N
XLogP3.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone (CID 776356) is (3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone is CCOc1ccc(C(=O)N2CCc3ccccc32)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is WYVXVGVGQCQVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-22-17-10-9-15(13-18(17)23-4-2)19(21)20-12-11-14-7-5-6-8-16(14)20/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of (3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
(3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 776356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).