(Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide

C20H17N3O2 — CID 19031273

IUPAC(Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C/c1c[nH]c2ccc(O)cc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H17N3O2/c21-12-15(20(25)22-9-8-14-4-2-1-3-5-14)10-16-13-23-19-7-6-17(24)11-18(16)19/h1-7,10-11,13,23-24H,8-9H2,(H,22,25)/b15-10-
InChIKeySZDYSPONZNSYCH-GDNBJRDFSA-N
MW331.38 g/mol
LogP3.14
Rot. Bonds5

About (Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide

(Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 19031273) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID19031273
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name(Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C/c1c[nH]c2ccc(O)cc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H17N3O2/c21-12-15(20(25)22-9-8-14-4-2-1-3-5-14)10-16-13-23-19-7-6-17(24)11-18(16)19/h1-7,10-11,13,23-24H,8-9H2,(H,22,25)/b15-10-
InChIKeySZDYSPONZNSYCH-GDNBJRDFSA-N
XLogP3.14
TPSA88.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
CID 842168
2-cyano-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 801523
2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 78650220
(Z)-2-cyano-3-(4-hydroxy-2-methylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835109
(Z)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 6140309
(E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 30228009
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247
(Z)-3-anilino-2-cyano-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 108829246
(Z)-3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 60593922
(Z)-2-cyano-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 19183864
(E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 773363
N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
CID 19059519

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide (CID 19031273) is (Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide is N#C/C(=C/c1c[nH]c2ccc(O)cc12)C(=O)NCCc1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is SZDYSPONZNSYCH-GDNBJRDFSA-N. The full InChI is InChI=1S/C20H17N3O2/c21-12-15(20(25)22-9-8-14-4-2-1-3-5-14)10-16-13-23-19-7-6-17(24)11-18(16)19/h1-7,10-11,13,23-24H,8-9H2,(H,22,25)/b15-10-.
What are the key properties of (Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide?
(Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 331.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 19031273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).