N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide

C20H17NO3 — CID 34046952

IUPACN-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C20H17NO3/c1-13-17-5-3-4-6-19(17)24-20(13)18(23)12-9-15-7-10-16(11-8-15)21-14(2)22/h3-12H,1-2H3,(H,21,22)/b12-9+
InChIKeyFJVQZHMRNJOSDH-FMIVXFBMSA-N
MW319.36 g/mol
LogP4.60
Rot. Bonds4

About N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide

N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide (PubChem CID 34046952) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide
PubChem CID34046952
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC NameN-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C20H17NO3/c1-13-17-5-3-4-6-19(17)24-20(13)18(23)12-9-15-7-10-16(11-8-15)21-14(2)22/h3-12H,1-2H3,(H,21,22)/b12-9+
InChIKeyFJVQZHMRNJOSDH-FMIVXFBMSA-N
XLogP4.60
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3-methyl-1-benzofuran-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 34046964
(E)-3-(3-chloro-4-hydroxyphenyl)-1-(3-methyl-1-benzofuran-2-yl)prop-2-en-1-one
CID 60593522
(E)-1-(3-methyl-1-benzofuran-2-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 34047124
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 7940721
N-[(4-acetylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 1339791
1-(4-chlorophenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 8746989
3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 880265
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9020852

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide (CID 34046952) is N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/C(=O)c2oc3ccccc3c2C)cc1.
What is the InChIKey of N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
The InChIKey is FJVQZHMRNJOSDH-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-17-5-3-4-6-19(17)24-20(13)18(23)12-9-15-7-10-16(11-8-15)21-14(2)22/h3-12H,1-2H3,(H,21,22)/b12-9+.
What are the key properties of N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 34046952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).