(E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide

C23H17NO5 — CID 108730677

IUPAC(E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccco4)cc3)cc(=O)c2c1
InChIInChI=1S/C23H17NO5/c1-27-18-8-10-21-19(13-18)20(25)14-22(29-21)15-4-6-16(7-5-15)24-23(26)11-9-17-3-2-12-28-17/h2-14H,1H3,(H,24,26)/b11-9+
InChIKeyBILZDOVRUHCTFQ-PKNBQFBNSA-N
MW387.39 g/mol
LogP4.71
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide (PubChem CID 108730677) has the molecular formula C23H17NO5 and a molecular weight of 387.39 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide
PubChem CID108730677
Molecular FormulaC23H17NO5
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC Name(E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccco4)cc3)cc(=O)c2c1
InChIInChI=1S/C23H17NO5/c1-27-18-8-10-21-19(13-18)20(25)14-22(29-21)15-4-6-16(7-5-15)24-23(26)11-9-17-3-2-12-28-17/h2-14H,1H3,(H,24,26)/b11-9+
InChIKeyBILZDOVRUHCTFQ-PKNBQFBNSA-N
XLogP4.71
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 1327368
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
CID 108754317
(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 51370920
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108730692
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide (CID 108730677) is (E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide is COc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccco4)cc3)cc(=O)c2c1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide?
The InChIKey is BILZDOVRUHCTFQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H17NO5/c1-27-18-8-10-21-19(13-18)20(25)14-22(29-21)15-4-6-16(7-5-15)24-23(26)11-9-17-3-2-12-28-17/h2-14H,1H3,(H,24,26)/b11-9+.
What are the key properties of (E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide has a molecular weight of 387.39 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 108730677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).