(E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide

C19H15NO4 — CID 16649050

IUPAC(E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C19H15NO4/c1-23-16-7-2-13(3-8-16)4-10-18(21)20-15-6-9-17-14(12-15)5-11-19(22)24-17/h2-12H,1H3,(H,20,21)/b10-4+
InChIKeyQCYPXBSJTHOSNZ-ONNFQVAWSA-N
MW321.33 g/mol
LogP3.45
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide (PubChem CID 16649050) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide
PubChem CID16649050
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C19H15NO4/c1-23-16-7-2-13(3-8-16)4-10-18(21)20-15-6-9-17-14(12-15)5-11-19(22)24-17/h2-12H,1H3,(H,20,21)/b10-4+
InChIKeyQCYPXBSJTHOSNZ-ONNFQVAWSA-N
XLogP3.45
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide (CID 16649050) is (E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide?
The InChIKey is QCYPXBSJTHOSNZ-ONNFQVAWSA-N. The full InChI is InChI=1S/C19H15NO4/c1-23-16-7-2-13(3-8-16)4-10-18(21)20-15-6-9-17-14(12-15)5-11-19(22)24-17/h2-12H,1H3,(H,20,21)/b10-4+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide has a molecular weight of 321.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide is sourced from PubChem (CID 16649050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).