(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide

C26H25NO2 — CID 99998171

IUPAC(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H25NO2/c1-26(2,3)21-16-13-19(14-17-21)15-18-24(28)27-23-12-8-7-11-22(23)25(29)20-9-5-4-6-10-20/h4-18H,1-3H3,(H,27,28)/b18-15+
InChIKeyMOBQGCZTVHJMLM-OBGWFSINSA-N
MW383.49 g/mol
LogP5.87
Rot. Bonds5

About (E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide

(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide (PubChem CID 99998171) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is (E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
PubChem CID99998171
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H25NO2/c1-26(2,3)21-16-13-19(14-17-21)15-18-24(28)27-23-12-8-7-11-22(23)25(29)20-9-5-4-6-10-20/h4-18H,1-3H3,(H,27,28)/b18-15+
InChIKeyMOBQGCZTVHJMLM-OBGWFSINSA-N
XLogP5.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 17164885
(E)-N-(2-benzoylphenyl)but-2-enamide
CID 20555207
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 3637255
N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
CID 5153514
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
4-tert-butyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 923514
3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76617104
(E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide
CID 10617276
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598
2-(3-phenylprop-2-enoylamino)benzoate
CID 6935692

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide (CID 99998171) is (E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide is CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide?
The InChIKey is MOBQGCZTVHJMLM-OBGWFSINSA-N. The full InChI is InChI=1S/C26H25NO2/c1-26(2,3)21-16-13-19(14-17-21)15-18-24(28)27-23-12-8-7-11-22(23)25(29)20-9-5-4-6-10-20/h4-18H,1-3H3,(H,27,28)/b18-15+.
What are the key properties of (E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide?
(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide has a molecular weight of 383.49 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide is sourced from PubChem (CID 99998171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).