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

C22H27NO — CID 6278792

IUPAC(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C22H27NO/c1-22(2,3)20-14-11-19(12-15-20)13-16-21(24)23-17-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-16H,7,10,17H2,1-3H3,(H,23,24)/b16-13+
InChIKeyBUZFTKXUBQBECZ-DTQAZKPQSA-N
MW321.46 g/mol
LogP4.75
Rot. Bonds6

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

(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide (PubChem CID 6278792) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
PubChem CID6278792
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C22H27NO/c1-22(2,3)20-14-11-19(12-15-20)13-16-21(24)23-17-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-16H,7,10,17H2,1-3H3,(H,23,24)/b16-13+
InChIKeyBUZFTKXUBQBECZ-DTQAZKPQSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)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

(E)-3-(4-tert-butylphenyl)-N-[3-(4-chlorophenyl)propyl]prop-2-enamide
CID 99998129
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide
CID 110300693
N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide
CID 33378211
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 3702491
(E)-3-[4-[2-oxo-2-[4-[(E)-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl]acetyl]phenyl]prop-2-enoic acid
CID 10434059
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide
CID 108573771
N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide
CID 87903078

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide (CID 6278792) is (E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide is CC(C)(C)c1ccc(/C=C/C(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide?
The InChIKey is BUZFTKXUBQBECZ-DTQAZKPQSA-N. The full InChI is InChI=1S/C22H27NO/c1-22(2,3)20-14-11-19(12-15-20)13-16-21(24)23-17-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-16H,7,10,17H2,1-3H3,(H,23,24)/b16-13+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide has a molecular weight of 321.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 6278792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).