N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide

C22H18N2O4 — CID 10809398

IUPACN-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide
SMILESCC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/Nc1ccccc1
InChIInChI=1S/C22H18N2O4/c1-15(25)18-14-19(24-21(26)16-8-4-2-5-9-16)22(27)28-20(18)12-13-23-17-10-6-3-7-11-17/h2-14,23H,1H3,(H,24,26)/b13-12+
InChIKeyIKPCJROCPURFDF-OUKQBFOZSA-N
MW374.40 g/mol
LogP4.18
Rot. Bonds6

About N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide

N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide (PubChem CID 10809398) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide
PubChem CID10809398
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide
SMILESCC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/Nc1ccccc1
InChIInChI=1S/C22H18N2O4/c1-15(25)18-14-19(24-21(26)16-8-4-2-5-9-16)22(27)28-20(18)12-13-23-17-10-6-3-7-11-17/h2-14,23H,1H3,(H,24,26)/b13-12+
InChIKeyIKPCJROCPURFDF-OUKQBFOZSA-N
XLogP4.18
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[3-acetyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-2-yl]ethenylamino]benzoate
CID 1490610
ethyl 5-benzamido-2-[(E)-2-(4-bromoanilino)ethenyl]-6-oxopyran-3-carboxylate
CID 10576791
N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide
CID 1475605
N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide
CID 86259664
N-[6-[(E)-2-(dimethylamino)ethenyl]-5-[(1R)-1-hydroxyethyl]-2-oxopyran-3-yl]benzamide
CID 679969
methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate
CID 15192186
ethyl 5-benzamido-2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-6-oxopyran-3-carboxylate
CID 10345620
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide?
The IUPAC name of N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide (CID 10809398) is N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide.
What is the SMILES notation for N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide?
The canonical SMILES for N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide is CC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/Nc1ccccc1.
What is the InChIKey of N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide?
The InChIKey is IKPCJROCPURFDF-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-15(25)18-14-19(24-21(26)16-8-4-2-5-9-16)22(27)28-20(18)12-13-23-17-10-6-3-7-11-17/h2-14,23H,1H3,(H,24,26)/b13-12+.
What are the key properties of N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide?
N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide is sourced from PubChem (CID 10809398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).