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

C18H16N4O3 — CID 108827436

IUPAC(Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
SMILESCC(=O)Nc1cccc(N/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C18H16N4O3/c1-12(23)21-16-4-2-3-15(9-16)20-11-13(10-19)18(25)22-14-5-7-17(24)8-6-14/h2-9,11,20,24H,1H3,(H,21,23)(H,22,25)/b13-11-
InChIKeyUNJQMEDLHANBJB-QBFSEMIESA-N
MW336.35 g/mol
LogP2.81
Rot. Bonds5

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

(Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 108827436) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is (Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
PubChem CID108827436
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name(Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
SMILESCC(=O)Nc1cccc(N/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C18H16N4O3/c1-12(23)21-16-4-2-3-15(9-16)20-11-13(10-19)18(25)22-14-5-7-17(24)8-6-14/h2-9,11,20,24H,1H3,(H,21,23)(H,22,25)/b13-11-
InChIKeyUNJQMEDLHANBJB-QBFSEMIESA-N
XLogP2.81
TPSA114.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.81
H-Bond Donors ≤ 54
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)-3-(3-acetylanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827344
(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide
CID 108856600
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(3-fluoroanilino)prop-2-enamide
CID 108818841
(Z)-2-cyano-3-(4-hydroxyanilino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816826
3-[[(Z)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
CID 108818291
(Z)-3-(3-acetylanilino)-2-cyano-N-(3,4-dichlorophenyl)prop-2-enamide
CID 108821752
(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816953
2-[[(Z)-3-(3-acetamidoanilino)-2-cyanoprop-2-enoyl]amino]propanoic acid
CID 108844868
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827373
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
(Z)-3-(4-acetamidoanilino)-N-(4-bromophenyl)-2-cyanoprop-2-enamide
CID 108815697
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-iodoanilino)prop-2-enamide
CID 108818847

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide (CID 108827436) is (Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide is CC(=O)Nc1cccc(N/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1.
What is the InChIKey of (Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is UNJQMEDLHANBJB-QBFSEMIESA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12(23)21-16-4-2-3-15(9-16)20-11-13(10-19)18(25)22-14-5-7-17(24)8-6-14/h2-9,11,20,24H,1H3,(H,21,23)(H,22,25)/b13-11-.
What are the key properties of (Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide?
(Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 336.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 108827436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).