(E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

C24H19N3O2 — CID 1073560

IUPAC(E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NCc1ccco1
InChIInChI=1S/C24H19N3O2/c25-14-19(24(28)26-15-21-9-6-12-29-21)13-20-17-27(16-18-7-2-1-3-8-18)23-11-5-4-10-22(20)23/h1-13,17H,15-16H2,(H,26,28)/b19-13+
InChIKeyMBWFUYNQIJHPJS-CPNJWEJPSA-N
MW381.44 g/mol
LogP4.51
Rot. Bonds6

About (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

(E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 1073560) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID1073560
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name(E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NCc1ccco1
InChIInChI=1S/C24H19N3O2/c25-14-19(24(28)26-15-21-9-6-12-29-21)13-20-17-27(16-18-7-2-1-3-8-18)23-11-5-4-10-22(20)23/h1-13,17H,15-16H2,(H,26,28)/b19-13+
InChIKeyMBWFUYNQIJHPJS-CPNJWEJPSA-N
XLogP4.51
TPSA70.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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
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CID 2227674
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
Proximicin C
CID 24829332
N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 25459838
[4-(3-Carbazol-9-yl-2-hydroxy-propyl)-piperazin-1-yl]-furan-2-yl-methanone
CID 655901
(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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide (CID 1073560) is (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NCc1ccco1.
What is the InChIKey of (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is MBWFUYNQIJHPJS-CPNJWEJPSA-N. The full InChI is InChI=1S/C24H19N3O2/c25-14-19(24(28)26-15-21-9-6-12-29-21)13-20-17-27(16-18-7-2-1-3-8-18)23-11-5-4-10-22(20)23/h1-13,17H,15-16H2,(H,26,28)/b19-13+.
What are the key properties of (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 381.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 1073560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).