(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide

C25H19NO4 — CID 1341670

IUPAC(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C25H19NO4/c1-29-19-14-12-18(13-15-19)24(28)25-23(20-9-5-6-10-21(20)30-25)26-22(27)16-11-17-7-3-2-4-8-17/h2-16H,1H3,(H,26,27)/b16-11+
InChIKeyJNLDNWQKUQYEFK-LFIBNONCSA-N
MW397.43 g/mol
LogP5.32
Rot. Bonds6

About (E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide

(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide (PubChem CID 1341670) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is (E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
PubChem CID1341670
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C25H19NO4/c1-29-19-14-12-18(13-15-19)24(28)25-23(20-9-5-6-10-21(20)30-25)26-22(27)16-11-17-7-3-2-4-8-17/h2-16H,1H3,(H,26,27)/b16-11+
InChIKeyJNLDNWQKUQYEFK-LFIBNONCSA-N
XLogP5.32
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.32
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

N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 7159740
(E)-N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 19114821
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 3445612
(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide
CID 23111288
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide
CID 3445645
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445863
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide
CID 1418905
N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 71962835
N-(3-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 93153212
ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate
CID 16814961

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide (CID 1341670) is (E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide?
The InChIKey is JNLDNWQKUQYEFK-LFIBNONCSA-N. The full InChI is InChI=1S/C25H19NO4/c1-29-19-14-12-18(13-15-19)24(28)25-23(20-9-5-6-10-21(20)30-25)26-22(27)16-11-17-7-3-2-4-8-17/h2-16H,1H3,(H,26,27)/b16-11+.
What are the key properties of (E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide?
(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide has a molecular weight of 397.43 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 1341670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).