(E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide

C26H23N3O4 — CID 1073575

IUPAC(E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide
SMILESCOc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)cc1
InChIInChI=1S/C26H23N3O4/c1-31-21-8-10-22(11-9-21)33-14-12-29-18-20(24-6-2-3-7-25(24)29)15-19(16-27)26(30)28-17-23-5-4-13-32-23/h2-11,13,15,18H,12,14,17H2,1H3,(H,28,30)/b19-15+
InChIKeyUASRIFHXNYNMTD-XDJHFCHBSA-N
MW441.49 g/mol
LogP4.55
Rot. Bonds9

About (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide

(E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide (PubChem CID 1073575) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide
PubChem CID1073575
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name(E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide
SMILESCOc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)cc1
InChIInChI=1S/C26H23N3O4/c1-31-21-8-10-22(11-9-21)33-14-12-29-18-20(24-6-2-3-7-25(24)29)15-19(16-27)26(30)28-17-23-5-4-13-32-23/h2-11,13,15,18H,12,14,17H2,1H3,(H,28,30)/b19-15+
InChIKeyUASRIFHXNYNMTD-XDJHFCHBSA-N
XLogP4.55
TPSA89.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid
CID 449500
1-(9H-carbazol-9-yl)-3-(((furan-2-yl)methyl)amino)propan-2-ol
CID 652652
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
1-[2-(4-Methoxyphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 589080
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
furan-2-yl{1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methanone
CID 4127211
(2R)-N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10671411
(S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]-3-(4-furan-2-yl-phenyl)-propionylamino]-3-(1H-indol-3-yl)-propionic acid
CID 44311699
(2E)-2-cyano-3-[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 829165
N-(2,5-dimethoxyphenyl)-2-(3-formyl-1H-indol-1-yl)acetamide
CID 2229582
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-amine hydrochloride
CID 2770995

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide (CID 1073575) is (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide is COc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)cc1.
What is the InChIKey of (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide?
The InChIKey is UASRIFHXNYNMTD-XDJHFCHBSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-31-21-8-10-22(11-9-21)33-14-12-29-18-20(24-6-2-3-7-25(24)29)15-19(16-27)26(30)28-17-23-5-4-13-32-23/h2-11,13,15,18H,12,14,17H2,1H3,(H,28,30)/b19-15+.
What are the key properties of (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide?
(E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide has a molecular weight of 441.49 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide is sourced from PubChem (CID 1073575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).