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

C20H17N3O — CID 842168

IUPAC2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
SMILESN#CC(=Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H17N3O/c21-13-16(12-17-14-23-19-9-5-4-8-18(17)19)20(24)22-11-10-15-6-2-1-3-7-15/h1-9,12,14,23H,10-11H2,(H,22,24)
InChIKeyUUPTYQSQYRSBQR-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.43
Rot. Bonds5

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

2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 842168) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID842168
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
SMILESN#CC(=Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H17N3O/c21-13-16(12-17-14-23-19-9-5-4-8-18(17)19)20(24)22-11-10-15-6-2-1-3-7-15/h1-9,12,14,23H,10-11H2,(H,22,24)
InChIKeyUUPTYQSQYRSBQR-UHFFFAOYSA-N
XLogP3.43
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z)-2-cyano-3-(5-hydroxy-1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
CID 19031273
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247
N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
CID 19059519
(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 1181989
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
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-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 23476689
(Z)-N-(4-chlorophenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CID 760976
N-benzyl-2-cyano-3-(7-ethyl-1H-indol-3-yl)prop-2-enamide
CID 4811134
(E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 30228009
(Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(1-prop-2-enylindol-3-yl)prop-2-enamide
CID 1142347

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide (CID 842168) is 2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide is N#CC(=Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is UUPTYQSQYRSBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-13-16(12-17-14-23-19-9-5-4-8-18(17)19)20(24)22-11-10-15-6-2-1-3-7-15/h1-9,12,14,23H,10-11H2,(H,22,24).
What are the key properties of 2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide?
2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 315.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 842168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).