(E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide

C19H17NO3 — CID 7465051

IUPAC(E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/C1=Cc2ccccc2OC1
InChIInChI=1S/C19H17NO3/c1-22-18-9-5-3-7-16(18)20-19(21)11-10-14-12-15-6-2-4-8-17(15)23-13-14/h2-12H,13H2,1H3,(H,20,21)/b11-10+
InChIKeySZHRZILUEKGUIM-ZHACJKMWSA-N
MW307.35 g/mol
LogP3.67
Rot. Bonds4

About (E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide

(E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 7465051) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID7465051
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/C1=Cc2ccccc2OC1
InChIInChI=1S/C19H17NO3/c1-22-18-9-5-3-7-16(18)20-19(21)11-10-14-12-15-6-2-4-8-17(15)23-13-14/h2-12H,13H2,1H3,(H,20,21)/b11-10+
InChIKeySZHRZILUEKGUIM-ZHACJKMWSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.67
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)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide (CID 7465051) is (E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1NC(=O)/C=C/C1=Cc2ccccc2OC1.
What is the InChIKey of (E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is SZHRZILUEKGUIM-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-18-9-5-3-7-16(18)20-19(21)11-10-14-12-15-6-2-4-8-17(15)23-13-14/h2-12H,13H2,1H3,(H,20,21)/b11-10+.
What are the key properties of (E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide?
(E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 307.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7465051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).