(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide

C19H17NO4 — CID 51370920

IUPAC(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1
InChIInChI=1S/C19H17NO4/c1-22-15-5-3-14(4-6-15)20-19(21)10-8-17-12-13-11-16(23-2)7-9-18(13)24-17/h3-12H,1-2H3,(H,20,21)/b10-8+
InChIKeyNXBREQLCKSDEFS-CSKARUKUSA-N
MW323.35 g/mol
LogP4.10
Rot. Bonds5

About (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide

(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 51370920) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID51370920
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1
InChIInChI=1S/C19H17NO4/c1-22-15-5-3-14(4-6-15)20-19(21)10-8-17-12-13-11-16(23-2)7-9-18(13)24-17/h3-12H,1-2H3,(H,20,21)/b10-8+
InChIKeyNXBREQLCKSDEFS-CSKARUKUSA-N
XLogP4.10
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 51370925
(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
CID 35049946
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
(E)-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17313409
(E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide
CID 108730677
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 1327368
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide
CID 51370939
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
(E)-N-(4-methoxyphenyl)-4-methylpent-2-enamide
CID 127125735
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
(E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide
CID 51370741

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide (CID 51370920) is (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1.
What is the InChIKey of (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is NXBREQLCKSDEFS-CSKARUKUSA-N. The full InChI is InChI=1S/C19H17NO4/c1-22-15-5-3-14(4-6-15)20-19(21)10-8-17-12-13-11-16(23-2)7-9-18(13)24-17/h3-12H,1-2H3,(H,20,21)/b10-8+.
What are the key properties of (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide?
(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 323.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 51370920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).