(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide

C18H19N3O2 — CID 877542

IUPAC(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)cc1C
InChIInChI=1S/C18H19N3O2/c1-12-5-6-15(9-13(12)2)20-18(22)14(11-19)10-16-7-8-17(23-16)21(3)4/h5-10H,1-4H3,(H,20,22)/b14-10+
InChIKeyBSEMNWNUFPBWNV-GXDHUFHOSA-N
MW309.37 g/mol
LogP3.51
Rot. Bonds4

About (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide

(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide (PubChem CID 877542) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide
PubChem CID877542
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)cc1C
InChIInChI=1S/C18H19N3O2/c1-12-5-6-15(9-13(12)2)20-18(22)14(11-19)10-16-7-8-17(23-16)21(3)4/h5-10H,1-4H3,(H,20,22)/b14-10+
InChIKeyBSEMNWNUFPBWNV-GXDHUFHOSA-N
XLogP3.51
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(3-methylphenyl)prop-2-enamide
CID 738805
(E)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 686860
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 729147
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide
CID 738823
(2E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide
CID 738836
N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 941877
(E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712905
(Z)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-phenylprop-2-enamide
CID 5727752
(2Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
CID 921800

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide (CID 877542) is (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)cc1C.
What is the InChIKey of (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide?
The InChIKey is BSEMNWNUFPBWNV-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-5-6-15(9-13(12)2)20-18(22)14(11-19)10-16-7-8-17(23-16)21(3)4/h5-10H,1-4H3,(H,20,22)/b14-10+.
What are the key properties of (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide?
(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide has a molecular weight of 309.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 877542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).