(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide

C21H20N2O2 — CID 54690656

IUPAC(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(CCc2ccccc2)cc1)=C(/O)C1CC1
InChIInChI=1S/C21H20N2O2/c22-14-19(20(24)17-10-11-17)21(25)23-18-12-8-16(9-13-18)7-6-15-4-2-1-3-5-15/h1-5,8-9,12-13,17,24H,6-7,10-11H2,(H,23,25)/b20-19-
InChIKeyXRYVXYTZYFZPMZ-VXPUYCOJSA-N
MW332.40 g/mol
LogP4.16
Rot. Bonds6

About (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide

(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide (PubChem CID 54690656) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide
PubChem CID54690656
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(CCc2ccccc2)cc1)=C(/O)C1CC1
InChIInChI=1S/C21H20N2O2/c22-14-19(20(24)17-10-11-17)21(25)23-18-12-8-16(9-13-18)7-6-15-4-2-1-3-5-15/h1-5,8-9,12-13,17,24H,6-7,10-11H2,(H,23,25)/b20-19-
InChIKeyXRYVXYTZYFZPMZ-VXPUYCOJSA-N
XLogP4.16
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide (CID 54690656) is (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide is N#C/C(C(=O)Nc1ccc(CCc2ccccc2)cc1)=C(/O)C1CC1.
What is the InChIKey of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide?
The InChIKey is XRYVXYTZYFZPMZ-VXPUYCOJSA-N. The full InChI is InChI=1S/C21H20N2O2/c22-14-19(20(24)17-10-11-17)21(25)23-18-12-8-16(9-13-18)7-6-15-4-2-1-3-5-15/h1-5,8-9,12-13,17,24H,6-7,10-11H2,(H,23,25)/b20-19-.
What are the key properties of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide?
(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide has a molecular weight of 332.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(2-phenylethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 54690656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).