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

C20H15N3O6 — CID 6531422

IUPAC(E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1
InChIInChI=1S/C20H15N3O6/c1-27-19-10-14(23(25)26)4-6-17(19)18-7-5-15(29-18)9-13(11-21)20(24)22-12-16-3-2-8-28-16/h2-10H,12H2,1H3,(H,22,24)/b13-9+
InChIKeyLLMPXSGBAKOHSQ-UKTHLTGXSA-N
MW393.36 g/mol
LogP3.68
Rot. Bonds7

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

(E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide (PubChem CID 6531422) has the molecular formula C20H15N3O6 and a molecular weight of 393.36 g/mol. Its IUPAC name is (E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide
PubChem CID6531422
Molecular FormulaC20H15N3O6
Molecular Weight393.36 g/mol
Exact Mass393.10
IUPAC Name(E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1
InChIInChI=1S/C20H15N3O6/c1-27-19-10-14(23(25)26)4-6-17(19)18-7-5-15(29-18)9-13(11-21)20(24)22-12-16-3-2-8-28-16/h2-10H,12H2,1H3,(H,22,24)/b13-9+
InChIKeyLLMPXSGBAKOHSQ-UKTHLTGXSA-N
XLogP3.68
TPSA131.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

(E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 1351792
(Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 6369988
(E)-N-benzyl-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 6529815
(Z)-2-cyano-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 874049
2-cyano-3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 3976690
2-chloro-5-[5-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 1269164
ethyl 4-[5-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 6384498
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 1117832
N-(3-bromophenyl)-2-cyano-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 2883409
ethyl (E)-2-cyano-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enoate
CID 874008
2-cyano-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 171333502
(Z)-2-cyano-N-(4-methoxyphenyl)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 1352963

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide (CID 6531422) is (E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide is COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1.
What is the InChIKey of (E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is LLMPXSGBAKOHSQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C20H15N3O6/c1-27-19-10-14(23(25)26)4-6-17(19)18-7-5-15(29-18)9-13(11-21)20(24)22-12-16-3-2-8-28-16/h2-10H,12H2,1H3,(H,22,24)/b13-9+.
What are the key properties of (E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide?
(E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 393.36 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 6531422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).