N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

C27H20N2O4 — CID 100554363

IUPACN-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C27H20N2O4/c1-17-8-10-18(11-9-17)26(30)29-23(16-20-5-4-14-32-20)27(31)28-19-12-13-22-21-6-2-3-7-24(21)33-25(22)15-19/h2-16H,1H3,(H,28,31)(H,29,30)/b23-16-
InChIKeyIAUNRQXILIODGA-KQWNVCNZSA-N
MW436.47 g/mol
LogP5.90
Rot. Bonds5

About N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide (PubChem CID 100554363) has the molecular formula C27H20N2O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
PubChem CID100554363
Molecular FormulaC27H20N2O4
Molecular Weight436.47 g/mol
Exact Mass436.14
IUPAC NameN-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C27H20N2O4/c1-17-8-10-18(11-9-17)26(30)29-23(16-20-5-4-14-32-20)27(31)28-19-12-13-22-21-6-2-3-7-24(21)33-25(22)15-19/h2-16H,1H3,(H,28,31)(H,29,30)/b23-16-
InChIKeyIAUNRQXILIODGA-KQWNVCNZSA-N
XLogP5.90
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 55.90
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

N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[3-(3,4-dimethylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2836098
N-[(E)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274338
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 99868613
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100753628
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131809
N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229
4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 103599554
N-[3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5236171
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
N-[(Z)-3-(4-ethoxy-3-methoxyanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942231
N-[(Z)-1-(furan-2-yl)-3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942202

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide (CID 100554363) is N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The InChIKey is IAUNRQXILIODGA-KQWNVCNZSA-N. The full InChI is InChI=1S/C27H20N2O4/c1-17-8-10-18(11-9-17)26(30)29-23(16-20-5-4-14-32-20)27(31)28-19-12-13-22-21-6-2-3-7-24(21)33-25(22)15-19/h2-16H,1H3,(H,28,31)(H,29,30)/b23-16-.
What are the key properties of N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide has a molecular weight of 436.47 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(dibenzofuran-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide is sourced from PubChem (CID 100554363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).