(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide

C20H19N3O2 — CID 2238856

IUPAC(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H19N3O2/c21-15-17(14-16-4-2-1-3-5-16)20(24)22-18-6-8-19(9-7-18)23-10-12-25-13-11-23/h1-9,14H,10-13H2,(H,22,24)/b17-14+
InChIKeyVIADKMSMDRWVEY-SAPNQHFASA-N
MW333.39 g/mol
LogP3.07
Rot. Bonds4

About (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide

(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide (PubChem CID 2238856) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
PubChem CID2238856
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H19N3O2/c21-15-17(14-16-4-2-1-3-5-16)20(24)22-18-6-8-19(9-7-18)23-10-12-25-13-11-23/h1-9,14H,10-13H2,(H,22,24)/b17-14+
InChIKeyVIADKMSMDRWVEY-SAPNQHFASA-N
XLogP3.07
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 2121496
(E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 2238851
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 51109586
(E)-N-(4-chlorophenyl)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2387031
(E)-2-cyano-3-[4-(cyanomethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 9043828
2-cyano-N-(4-morpholin-4-ylphenyl)-3-(2-phenyltriazol-4-yl)prop-2-enamide
CID 76884770
(E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 7824488
2-cyano-3-(4-morpholin-4-ylphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 3421130
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 124656174
(E)-3-(4-chlorophenyl)-2-cyano-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 1185360
(E)-2-cyano-N-(4-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 957135
(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 9211167

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide (CID 2238856) is (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide is N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide?
The InChIKey is VIADKMSMDRWVEY-SAPNQHFASA-N. The full InChI is InChI=1S/C20H19N3O2/c21-15-17(14-16-4-2-1-3-5-16)20(24)22-18-6-8-19(9-7-18)23-10-12-25-13-11-23/h1-9,14H,10-13H2,(H,22,24)/b17-14+.
What are the key properties of (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide?
(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 2238856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).