(Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

C19H16N2O5 — CID 108762975

IUPAC(Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
SMILESCC(=O)c1c(C)oc(NC(=O)/C=C\c2ccc3c(c2)OCCO3)c1C#N
InChIInChI=1S/C19H16N2O5/c1-11(22)18-12(2)26-19(14(18)10-20)21-17(23)6-4-13-3-5-15-16(9-13)25-8-7-24-15/h3-6,9H,7-8H2,1-2H3,(H,21,23)/b6-4-
InChIKeyAUMZZXDCDXECKW-XQRVVYSFSA-N
MW352.35 g/mol
LogP3.09
Rot. Bonds4

About (Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

(Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (PubChem CID 108762975) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is (Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
PubChem CID108762975
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name(Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
SMILESCC(=O)c1c(C)oc(NC(=O)/C=C\c2ccc3c(c2)OCCO3)c1C#N
InChIInChI=1S/C19H16N2O5/c1-11(22)18-12(2)26-19(14(18)10-20)21-17(23)6-4-13-3-5-15-16(9-13)25-8-7-24-15/h3-6,9H,7-8H2,1-2H3,(H,21,23)/b6-4-
InChIKeyAUMZZXDCDXECKW-XQRVVYSFSA-N
XLogP3.09
TPSA101.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 108740273
methyl 4-cyano-2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108757311
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 51145488
3-(1,3-benzodioxol-5-yl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)prop-2-enamide
CID 4574890
methyl 4-(1,3-benzothiazol-2-yl)-5-[[(Z)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]-2-methylfuran-3-carboxylate
CID 108761670
(E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide
CID 108762807
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 9097940
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 17416575
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoylamino]-5-hydroxybenzoic acid
CID 4970883
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enehydrazide
CID 9471674
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
CID 86822381
3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 169481919

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (CID 108762975) is (Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is CC(=O)c1c(C)oc(NC(=O)/C=C\c2ccc3c(c2)OCCO3)c1C#N.
What is the InChIKey of (Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The InChIKey is AUMZZXDCDXECKW-XQRVVYSFSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-11(22)18-12(2)26-19(14(18)10-20)21-17(23)6-4-13-3-5-15-16(9-13)25-8-7-24-15/h3-6,9H,7-8H2,1-2H3,(H,21,23)/b6-4-.
What are the key properties of (Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
(Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide has a molecular weight of 352.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is sourced from PubChem (CID 108762975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).