(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide

C20H19N3O2 — CID 108855751

IUPAC(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C(C#N)=C\N2CCc3ccccc32)cc1
InChIInChI=1S/C20H19N3O2/c1-2-25-18-9-7-17(8-10-18)22-20(24)16(13-21)14-23-12-11-15-5-3-4-6-19(15)23/h3-10,14H,2,11-12H2,1H3,(H,22,24)/b16-14-
InChIKeyGGXFNRWQSGLQRY-PEZBUJJGSA-N
MW333.39 g/mol
LogP3.49
Rot. Bonds5

About (Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide

(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 108855751) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide
PubChem CID108855751
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C(C#N)=C\N2CCc3ccccc32)cc1
InChIInChI=1S/C20H19N3O2/c1-2-25-18-9-7-17(8-10-18)22-20(24)16(13-21)14-23-12-11-15-5-3-4-6-19(15)23/h3-10,14H,2,11-12H2,1H3,(H,22,24)/b16-14-
InChIKeyGGXFNRWQSGLQRY-PEZBUJJGSA-N
XLogP3.49
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.49
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

methyl 2-[[(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)prop-2-enoyl]amino]benzoate
CID 108851658
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(2,3-dihydroindol-1-yl)prop-2-enamide
CID 108823785
(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 19171872
methyl 2-[[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoyl]amino]benzoate
CID 108851431
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 108514454
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-ethoxyphenyl)prop-2-enamide
CID 108855612
(Z)-3-(2,3-dihydroindol-1-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)prop-2-enenitrile
CID 108834941
2-[[(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid
CID 108846809
4-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]benzoic acid
CID 727285
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(2-phenylethylamino)prop-2-enamide
CID 108855525
(Z)-3-(3-chloroanilino)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
CID 108855593
(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815594

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide (CID 108855751) is (Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(NC(=O)/C(C#N)=C\N2CCc3ccccc32)cc1.
What is the InChIKey of (Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is GGXFNRWQSGLQRY-PEZBUJJGSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-25-18-9-7-17(8-10-18)22-20(24)16(13-21)14-23-12-11-15-5-3-4-6-19(15)23/h3-10,14H,2,11-12H2,1H3,(H,22,24)/b16-14-.
What are the key properties of (Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 108855751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).