(Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide

C19H19N3O2 — CID 108820241

IUPAC(Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-12-21-19(23)15(13-20)14-22-16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-11,14,22H,2,12H2,1H3,(H,21,23)/b15-14-
InChIKeySXLWMVPCXGEYRK-PFONDFGASA-N
MW321.38 g/mol
LogP3.82
Rot. Bonds7

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

(Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide (PubChem CID 108820241) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide
PubChem CID108820241
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-12-21-19(23)15(13-20)14-22-16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-11,14,22H,2,12H2,1H3,(H,21,23)/b15-14-
InChIKeySXLWMVPCXGEYRK-PFONDFGASA-N
XLogP3.82
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.82
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

(Z)-2-cyano-3-(4-phenoxyanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849606
ethyl (E)-2-cyano-3-(4-phenoxyanilino)prop-2-enoate
CID 17154952
ethyl 4-[[(Z)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]amino]benzoate
CID 108820173
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide
CID 108827325
(Z)-3-(4-acetylanilino)-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849624
3-[[(Z)-3-anilino-2-cyanoprop-2-enoyl]amino]propanoic acid
CID 108817698
(Z)-3-(3-bromoanilino)-2-cyano-N-propylprop-2-enamide
CID 108820383
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide
CID 108820292
(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide
CID 108820394
(Z)-N-butyl-2-cyano-3-(4-fluoroanilino)prop-2-enamide
CID 108833646
(Z)-2-cyano-3-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108838787
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
CID 177400804

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide (CID 108820241) is (Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C\Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide?
The InChIKey is SXLWMVPCXGEYRK-PFONDFGASA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-12-21-19(23)15(13-20)14-22-16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-11,14,22H,2,12H2,1H3,(H,21,23)/b15-14-.
What are the key properties of (Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide?
(Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 3.82, 7 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-phenoxyanilino)-N-propylprop-2-enamide is sourced from PubChem (CID 108820241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).