(Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide

C26H23N3O2 — CID 2121496

IUPAC(Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H23N3O2/c27-19-23(18-20-6-8-22(9-7-20)21-4-2-1-3-5-21)26(30)28-24-10-12-25(13-11-24)29-14-16-31-17-15-29/h1-13,18H,14-17H2,(H,28,30)/b23-18-
InChIKeyZMAQNIOLYIHBEN-NKFKGCMQSA-N
MW409.49 g/mol
LogP4.74
Rot. Bonds5

About (Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide

(Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide (PubChem CID 2121496) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide
PubChem CID2121496
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name(Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H23N3O2/c27-19-23(18-20-6-8-22(9-7-20)21-4-2-1-3-5-21)26(30)28-24-10-12-25(13-11-24)29-14-16-31-17-15-29/h1-13,18H,14-17H2,(H,28,30)/b23-18-
InChIKeyZMAQNIOLYIHBEN-NKFKGCMQSA-N
XLogP4.74
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.74
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

(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 2238856
(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-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 2238851
4-[[(E)-2-cyano-3-(4-phenylphenyl)prop-2-enoyl]amino]benzoic acid
CID 7912222
(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
(E)-2-cyano-N-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 166404392
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide (CID 2121496) is (Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide is N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide?
The InChIKey is ZMAQNIOLYIHBEN-NKFKGCMQSA-N. The full InChI is InChI=1S/C26H23N3O2/c27-19-23(18-20-6-8-22(9-7-20)21-4-2-1-3-5-21)26(30)28-24-10-12-25(13-11-24)29-14-16-31-17-15-29/h1-13,18H,14-17H2,(H,28,30)/b23-18-.
What are the key properties of (Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide?
(Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide has a molecular weight of 409.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 2121496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).