N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide

C25H20N2O4 — CID 7159740

IUPACN-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C25H20N2O4/c1-30-19-14-12-18(13-15-19)26-25(29)24-23(20-9-5-6-10-21(20)31-24)27-22(28)16-11-17-7-3-2-4-8-17/h2-16H,1H3,(H,26,29)(H,27,28)
InChIKeyAYPOYYLFJHVUAP-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.35
Rot. Bonds6

About N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide

N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide (PubChem CID 7159740) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
PubChem CID7159740
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC NameN-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C25H20N2O4/c1-30-19-14-12-18(13-15-19)26-25(29)24-23(20-9-5-6-10-21(20)31-24)27-22(28)16-11-17-7-3-2-4-8-17/h2-16H,1H3,(H,26,29)(H,27,28)
InChIKeyAYPOYYLFJHVUAP-UHFFFAOYSA-N
XLogP5.35
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 1341670
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 71962835
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
N-(3-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 93153212
(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide
CID 23111288
N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
3-[(4-bromobenzoyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 16814422
N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide
CID 41294972
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
3-[[(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 16814881

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide (CID 7159740) is N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide?
The InChIKey is AYPOYYLFJHVUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-30-19-14-12-18(13-15-19)26-25(29)24-23(20-9-5-6-10-21(20)31-24)27-22(28)16-11-17-7-3-2-4-8-17/h2-16H,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide?
N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7159740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).