(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide

C22H17N3O3 — CID 108827325

IUPAC(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C22H17N3O3/c23-14-16(22(27)25-18-6-10-19(26)11-7-18)15-24-17-8-12-21(13-9-17)28-20-4-2-1-3-5-20/h1-13,15,24,26H,(H,25,27)/b16-15-
InChIKeyFVYFHUWHUVGALY-NXVVXOECSA-N
MW371.40 g/mol
LogP4.64
Rot. Bonds6

About (Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide

(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide (PubChem CID 108827325) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide
PubChem CID108827325
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C22H17N3O3/c23-14-16(22(27)25-18-6-10-19(26)11-7-18)15-24-17-8-12-21(13-9-17)28-20-4-2-1-3-5-20/h1-13,15,24,26H,(H,25,27)/b16-15-
InChIKeyFVYFHUWHUVGALY-NXVVXOECSA-N
XLogP4.64
TPSA94.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(4-phenoxyanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849606
(Z)-3-(4-acetylanilino)-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849624
(Z)-2-cyano-3-(4-hydroxyanilino)-N-(4-methoxyphenyl)prop-2-enamide
CID 108828384
(Z)-2-cyano-3-(3-fluoroanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849791
(Z)-2-cyano-3-(2-fluoroanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849665
(Z)-2-cyano-3-(2,6-dimethylanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849808
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849513
(Z)-3-(3-acetylanilino)-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849625
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827373
(Z)-2-cyano-N-(4-phenoxyphenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108849610
(Z)-3-(5-chloro-2-hydroxyanilino)-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849656
(Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849707

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide (CID 108827325) is (Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide is N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of (Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide?
The InChIKey is FVYFHUWHUVGALY-NXVVXOECSA-N. The full InChI is InChI=1S/C22H17N3O3/c23-14-16(22(27)25-18-6-10-19(26)11-7-18)15-24-17-8-12-21(13-9-17)28-20-4-2-1-3-5-20/h1-13,15,24,26H,(H,25,27)/b16-15-.
What are the key properties of (Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide?
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide has a molecular weight of 371.40 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide is sourced from PubChem (CID 108827325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).