(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide

C17H14N2O3 — CID 696275

IUPAC(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1O
InChIInChI=1S/C17H14N2O3/c1-22-16-10-12(7-8-15(16)20)9-13(11-18)17(21)19-14-5-3-2-4-6-14/h2-10,20H,1H3,(H,19,21)/b13-9-
InChIKeyZTMCPRVQZFXHTP-LCYFTJDESA-N
MW294.31 g/mol
LogP2.95
Rot. Bonds4

About (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide

(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide (PubChem CID 696275) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide
PubChem CID696275
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1O
InChIInChI=1S/C17H14N2O3/c1-22-16-10-12(7-8-15(16)20)9-13(11-18)17(21)19-14-5-3-2-4-6-14/h2-10,20H,1H3,(H,19,21)/b13-9-
InChIKeyZTMCPRVQZFXHTP-LCYFTJDESA-N
XLogP2.95
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
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

2-cyano-N-(3,4-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 839869
3-[[2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzenesulfonic acid
CID 58699589
sodium 3-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzenesulfonate
CID 20697740
N-(2-bromophenyl)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 3361468
(Z)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 99915300
(E)-2-cyano-3-[3-(difluoromethoxy)-4-methoxyphenyl]-N-phenylprop-2-enamide
CID 43011974
N-(3-chloro-4-methylphenyl)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 962728
(Z)-2-benzoyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile
CID 21142147
2-cyano-N-(2,3-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 1266063
(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 6283081
(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 2367807
(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126240476

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide (CID 696275) is (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide is COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1O.
What is the InChIKey of (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide?
The InChIKey is ZTMCPRVQZFXHTP-LCYFTJDESA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-16-10-12(7-8-15(16)20)9-13(11-18)17(21)19-14-5-3-2-4-6-14/h2-10,20H,1H3,(H,19,21)/b13-9-.
What are the key properties of (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide?
(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide has a molecular weight of 294.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 696275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).