(Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide

C18H18N2O2 — CID 21374285

IUPAC(Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)oc1C
InChIInChI=1S/C18H18N2O2/c1-4-14-7-5-6-8-17(14)20-18(21)16(11-19)10-15-9-12(2)22-13(15)3/h5-10H,4H2,1-3H3,(H,20,21)/b16-10-
InChIKeyQQWMQHMIOLPGOR-YBEGLDIGSA-N
MW294.35 g/mol
LogP4.00
Rot. Bonds4

About (Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide

(Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide (PubChem CID 21374285) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide
PubChem CID21374285
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)oc1C
InChIInChI=1S/C18H18N2O2/c1-4-14-7-5-6-8-17(14)20-18(21)16(11-19)10-15-9-12(2)22-13(15)3/h5-10H,4H2,1-3H3,(H,20,21)/b16-10-
InChIKeyQQWMQHMIOLPGOR-YBEGLDIGSA-N
XLogP4.00
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.00
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

(Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2,3-dimethylphenyl)prop-2-enamide
CID 21374236
(E)-2-cyano-3-(2,4-dimethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 50927872
(E)-2-cyano-N-(2-ethylphenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 18863339
(E)-2-cyano-N-(2-ethylphenyl)-3-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide
CID 50865924
(E)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952
(Z)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-ethylphenyl)prop-2-enamide
CID 126193426
(Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 126102282
(E)-2-cyano-N-(2-ethylphenyl)-3-[1-[(3-methylphenyl)methyl]indol-3-yl]prop-2-enamide
CID 17270746
(E)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-3-yl)prop-2-enamide
CID 50853543
(Z)-2-cyano-N-(2-ethylphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 124652228
(Z)-2-cyano-N-(2-ethylphenyl)-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 132664902
2-cyano-3-[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-fluorophenyl)prop-2-enamide
CID 3871464

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide (CID 21374285) is (Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide is CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)oc1C.
What is the InChIKey of (Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide?
The InChIKey is QQWMQHMIOLPGOR-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-4-14-7-5-6-8-17(14)20-18(21)16(11-19)10-15-9-12(2)22-13(15)3/h5-10H,4H2,1-3H3,(H,20,21)/b16-10-.
What are the key properties of (Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide has a molecular weight of 294.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 21374285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).