(E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide

C19H15NO3 — CID 1368233

IUPAC(E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide
SMILESCc1cc(=O)oc2cc(NC(=O)/C=C/c3ccccc3)ccc12
InChIInChI=1S/C19H15NO3/c1-13-11-19(22)23-17-12-15(8-9-16(13)17)20-18(21)10-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)/b10-7+
InChIKeyQXUCCPZPSBZBCN-JXMROGBWSA-N
MW305.33 g/mol
LogP3.75
Rot. Bonds3

About (E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide

(E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide (PubChem CID 1368233) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide
PubChem CID1368233
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide
SMILESCc1cc(=O)oc2cc(NC(=O)/C=C/c3ccccc3)ccc12
InChIInChI=1S/C19H15NO3/c1-13-11-19(22)23-17-12-15(8-9-16(13)17)20-18(21)10-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)/b10-7+
InChIKeyQXUCCPZPSBZBCN-JXMROGBWSA-N
XLogP3.75
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-7-diethylaminocoumarin
CID 7050
7-Amino-4-methylcoumarin
CID 92249
Damc
CID 6867
N-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide
CID 122042
7-Diethylaminocoumarin
CID 88598
2-oxo-N-p-tolyl-2H-chromene-3-carboxamide
CID 599290
N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 745287
4-Methyl-7-(phenylacetamido)coumarin
CID 688125
2H-1-Benzopyran-2-one, 3-acetyl-7-(diethylamino)-
CID 688763
2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 341782
N-(3-Methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599289
6-Acetamidocoumarin
CID 13262

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide (CID 1368233) is (E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide is Cc1cc(=O)oc2cc(NC(=O)/C=C/c3ccccc3)ccc12.
What is the InChIKey of (E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide?
The InChIKey is QXUCCPZPSBZBCN-JXMROGBWSA-N. The full InChI is InChI=1S/C19H15NO3/c1-13-11-19(22)23-17-12-15(8-9-16(13)17)20-18(21)10-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)/b10-7+.
What are the key properties of (E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide?
(E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide has a molecular weight of 305.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 1368233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).