(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

C20H21NO3 — CID 2673431

IUPAC(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C20H21NO3/c1-23-18-10-6-14(12-19(18)24-2)7-11-20(22)21-17-9-8-15-4-3-5-16(15)13-17/h6-13H,3-5H2,1-2H3,(H,21,22)/b11-7+
InChIKeyLUGXUOXPRRBCSE-YRNVUSSQSA-N
MW323.39 g/mol
LogP3.84
Rot. Bonds5

About (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 2673431) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID2673431
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C20H21NO3/c1-23-18-10-6-14(12-19(18)24-2)7-11-20(22)21-17-9-8-15-4-3-5-16(15)13-17/h6-13H,3-5H2,1-2H3,(H,21,22)/b11-7+
InChIKeyLUGXUOXPRRBCSE-YRNVUSSQSA-N
XLogP3.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 2673431) is (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc1OC.
What is the InChIKey of (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is LUGXUOXPRRBCSE-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H21NO3/c1-23-18-10-6-14(12-19(18)24-2)7-11-20(22)21-17-9-8-15-4-3-5-16(15)13-17/h6-13H,3-5H2,1-2H3,(H,21,22)/b11-7+.
What are the key properties of (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 323.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2673431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).