N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide

C25H25NO — CID 4136318

IUPACN-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(NC(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO/c1-25(2,3)22-14-16-23(17-15-22)26-24(27)18-11-19-9-12-21(13-10-19)20-7-5-4-6-8-20/h4-18H,1-3H3,(H,26,27)
InChIKeyRGPDNCKRMFCKFJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.30
Rot. Bonds4

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

N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide (PubChem CID 4136318) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
PubChem CID4136318
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC NameN-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(NC(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO/c1-25(2,3)22-14-16-23(17-15-22)26-24(27)18-11-19-9-12-21(13-10-19)20-7-5-4-6-8-20/h4-18H,1-3H3,(H,26,27)
InChIKeyRGPDNCKRMFCKFJ-UHFFFAOYSA-N
XLogP6.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
(E)-N-(4-tert-butylphenyl)-3-(4-methylsulfonylphenyl)prop-2-enamide
CID 6139845
3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
CID 5015585
3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
CID 76617235
N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
CID 55573881
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-tert-butyl-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17111353

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide (CID 4136318) is N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide is CC(C)(C)c1ccc(NC(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide?
The InChIKey is RGPDNCKRMFCKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-25(2,3)22-14-16-23(17-15-22)26-24(27)18-11-19-9-12-21(13-10-19)20-7-5-4-6-8-20/h4-18H,1-3H3,(H,26,27).
What are the key properties of N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide?
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide has a molecular weight of 355.48 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 4136318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).