(E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide

C20H17NO3 — CID 108805864

IUPAC(E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/c1coc2ccccc2c1=O
InChIInChI=1S/C20H17NO3/c1-2-14-7-3-5-9-17(14)21-19(22)12-11-15-13-24-18-10-6-4-8-16(18)20(15)23/h3-13H,2H2,1H3,(H,21,22)/b12-11+
InChIKeyRIMBRRGRTHZFRI-VAWYXSNFSA-N
MW319.36 g/mol
LogP4.01
Rot. Bonds4

About (E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide

(E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide (PubChem CID 108805864) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
PubChem CID108805864
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/c1coc2ccccc2c1=O
InChIInChI=1S/C20H17NO3/c1-2-14-7-3-5-9-17(14)21-19(22)12-11-15-13-24-18-10-6-4-8-16(18)20(15)23/h3-13H,2H2,1H3,(H,21,22)/b12-11+
InChIKeyRIMBRRGRTHZFRI-VAWYXSNFSA-N
XLogP4.01
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.01
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-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide (CID 108805864) is (E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide is CCc1ccccc1NC(=O)/C=C/c1coc2ccccc2c1=O.
What is the InChIKey of (E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The InChIKey is RIMBRRGRTHZFRI-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H17NO3/c1-2-14-7-3-5-9-17(14)21-19(22)12-11-15-13-24-18-10-6-4-8-16(18)20(15)23/h3-13H,2H2,1H3,(H,21,22)/b12-11+.
What are the key properties of (E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
(E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 108805864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).