(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide

C18H17N3O6 — CID 2274646

IUPAC(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1
InChIInChI=1S/C18H17N3O6/c1-25-8-7-20-18(22)12(11-19)9-14-4-6-17(27-14)15-5-3-13(26-2)10-16(15)21(23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)/b12-9+
InChIKeyUCDNXVJXMGKQOQ-FMIVXFBMSA-N
MW371.35 g/mol
LogP2.53
Rot. Bonds8

About (E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide

(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide (PubChem CID 2274646) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide
PubChem CID2274646
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Name(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1
InChIInChI=1S/C18H17N3O6/c1-25-8-7-20-18(22)12(11-19)9-14-4-6-17(27-14)15-5-3-13(26-2)10-16(15)21(23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)/b12-9+
InChIKeyUCDNXVJXMGKQOQ-FMIVXFBMSA-N
XLogP2.53
TPSA127.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide (CID 2274646) is (E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide is COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1.
What is the InChIKey of (E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is UCDNXVJXMGKQOQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-25-8-7-20-18(22)12(11-19)9-14-4-6-17(27-14)15-5-3-13(26-2)10-16(15)21(23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)/b12-9+.
What are the key properties of (E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide?
(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 371.35 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-methoxyethyl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 2274646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).