(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C17H16N2O2 — CID 17373303

IUPAC(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(C)o2)c1
InChIInChI=1S/C17H16N2O2/c1-11-4-5-12(2)16(8-11)19-17(20)14(10-18)9-15-7-6-13(3)21-15/h4-9H,1-3H3,(H,19,20)/b14-9-
InChIKeyOAZOXRDPIDYULB-ZROIWOOFSA-N
MW280.33 g/mol
LogP3.75
Rot. Bonds3

About (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 17373303) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID17373303
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(C)o2)c1
InChIInChI=1S/C17H16N2O2/c1-11-4-5-12(2)16(8-11)19-17(20)14(10-18)9-15-7-6-13(3)21-15/h4-9H,1-3H3,(H,19,20)/b14-9-
InChIKeyOAZOXRDPIDYULB-ZROIWOOFSA-N
XLogP3.75
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(2,5-dimethylphenyl)-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]prop-2-enamide
CID 1021385
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 18863426
(E)-2-cyano-3-[5-(2,5-dibromophenyl)furan-2-yl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 126125133
(Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 27493123
(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 2261843
(Z)-2-cyano-3-(5-methylfuran-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 170916723
2-cyano-N-(2-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4107156
(E)-2-cyano-3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 698844
(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738795
(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 92896782
2-cyano-N-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 4557075
2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4015420

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 17373303) is (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(C)o2)c1.
What is the InChIKey of (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is OAZOXRDPIDYULB-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-4-5-12(2)16(8-11)19-17(20)14(10-18)9-15-7-6-13(3)21-15/h4-9H,1-3H3,(H,19,20)/b14-9-.
What are the key properties of (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 280.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 17373303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).