(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide

C18H17N3O2 — CID 108817050

IUPAC(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide
SMILESCc1ccc(C)c(N/C=C(/C#N)C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C18H17N3O2/c1-12-6-7-13(2)17(8-12)20-11-14(10-19)18(23)21-15-4-3-5-16(22)9-15/h3-9,11,20,22H,1-2H3,(H,21,23)/b14-11-
InChIKeyPNNWHVAFQDOODM-KAMYIIQDSA-N
MW307.35 g/mol
LogP3.47
Rot. Bonds4

About (Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide

(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide (PubChem CID 108817050) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide
PubChem CID108817050
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide
SMILESCc1ccc(C)c(N/C=C(/C#N)C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C18H17N3O2/c1-12-6-7-13(2)17(8-12)20-11-14(10-19)18(23)21-15-4-3-5-16(22)9-15/h3-9,11,20,22H,1-2H3,(H,21,23)/b14-11-
InChIKeyPNNWHVAFQDOODM-KAMYIIQDSA-N
XLogP3.47
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.47
H-Bond Donors ≤ 53
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

3-[[(Z)-2-cyano-3-(2,5-dimethylanilino)prop-2-enoyl]amino]benzoic acid
CID 108816304
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-dimethylanilino)prop-2-enamide
CID 46920697
(Z)-3-(4-chloro-2-methylanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816973
(Z)-3-(5-chloro-2-methylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858549
(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816953
N'-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)oxamide
CID 45000850
(Z)-2-cyano-3-(4-hydroxyanilino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816826
(Z)-3-(4-bromo-2-methylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858758
(Z)-3-(5-chloro-2-methylanilino)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 108817259
(Z)-2-cyano-3-(2-cyanoethylamino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108817155
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826228

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide (CID 108817050) is (Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide is Cc1ccc(C)c(N/C=C(/C#N)C(=O)Nc2cccc(O)c2)c1.
What is the InChIKey of (Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide?
The InChIKey is PNNWHVAFQDOODM-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-6-7-13(2)17(8-12)20-11-14(10-19)18(23)21-15-4-3-5-16(22)9-15/h3-9,11,20,22H,1-2H3,(H,21,23)/b14-11-.
What are the key properties of (Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide has a molecular weight of 307.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 108817050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).