(E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide

C26H20N2O2 — CID 92962233

IUPAC(E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C/C2=Cc3ccccc3O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C26H20N2O2/c1-18-11-13-23(14-12-18)28-26(29)22(17-27)16-21-15-20-9-5-6-10-24(20)30-25(21)19-7-3-2-4-8-19/h2-16,25H,1H3,(H,28,29)/b22-16+/t25-/m1/s1
InChIKeyMZKYMNBEUCGECO-UQTDQPHJSA-N
MW392.46 g/mol
LogP5.60
Rot. Bonds4

About (E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide

(E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide (PubChem CID 92962233) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide
PubChem CID92962233
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name(E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C/C2=Cc3ccccc3O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C26H20N2O2/c1-18-11-13-23(14-12-18)28-26(29)22(17-27)16-21-15-20-9-5-6-10-24(20)30-25(21)19-7-3-2-4-8-19/h2-16,25H,1H3,(H,28,29)/b22-16+/t25-/m1/s1
InChIKeyMZKYMNBEUCGECO-UQTDQPHJSA-N
XLogP5.60
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-2-cyano-3-[(2R)-2-methyl-2H-chromen-3-yl]-N-(4-methylphenyl)prop-2-enamide
CID 749229
(E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide
CID 6527824
4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]benzoic acid
CID 957163
3-(4-tert-butylphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 4542593
(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 7911783
(Z)-2-cyano-3-(8-methoxy-2-methyl-2H-chromen-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 23428433
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 7265065
(Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108817232
4-[[(E)-2-cyano-3-(4-phenylphenyl)prop-2-enoyl]amino]benzoic acid
CID 7912222
(Z)-3-(4-bromo-5-phenylsulfanylfuran-2-yl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 126002897
3-[[2-cyano-3-(4-methylphenyl)prop-2-enoyl]amino]benzoic acid
CID 3488338

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide (CID 92962233) is (E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C/C2=Cc3ccccc3O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide?
The InChIKey is MZKYMNBEUCGECO-UQTDQPHJSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-18-11-13-23(14-12-18)28-26(29)22(17-27)16-21-15-20-9-5-6-10-24(20)30-25(21)19-7-3-2-4-8-19/h2-16,25H,1H3,(H,28,29)/b22-16+/t25-/m1/s1.
What are the key properties of (E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide?
(E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide is sourced from PubChem (CID 92962233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).