(E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide

C22H25NO2 — CID 155561815

IUPAC(E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25NO2/c1-3-16-23(17-4-2)22(25)15-14-21(24)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-15H,3-4,16-17H2,1-2H3/b15-14+
InChIKeyOXSTWJNSPJJYFO-CCEZHUSRSA-N
MW335.45 g/mol
LogP4.74
Rot. Bonds8

About (E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide

(E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide (PubChem CID 155561815) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide
PubChem CID155561815
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25NO2/c1-3-16-23(17-4-2)22(25)15-14-21(24)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-15H,3-4,16-17H2,1-2H3/b15-14+
InChIKeyOXSTWJNSPJJYFO-CCEZHUSRSA-N
XLogP4.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide?
The IUPAC name of (E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide (CID 155561815) is (E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide.
What is the SMILES notation for (E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide?
The canonical SMILES for (E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide is CCCN(CCC)C(=O)/C=C/C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide?
The InChIKey is OXSTWJNSPJJYFO-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-16-23(17-4-2)22(25)15-14-21(24)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-15H,3-4,16-17H2,1-2H3/b15-14+.
What are the key properties of (E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide?
(E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide has a molecular weight of 335.45 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide is sourced from PubChem (CID 155561815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).