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

C20H22BrNO2 — CID 53268497

IUPAC(E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C20H22BrNO2/c1-20(2,3)15-8-11-18(17(21)13-15)22-19(23)12-7-14-5-9-16(24-4)10-6-14/h5-13H,1-4H3,(H,22,23)/b12-7+
InChIKeyAQSYUQZQIPPRLN-KPKJPENVSA-N
MW388.31 g/mol
LogP5.41
Rot. Bonds4

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

(E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 53268497) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is (E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID53268497
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name(E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C20H22BrNO2/c1-20(2,3)15-8-11-18(17(21)13-15)22-19(23)12-7-14-5-9-16(24-4)10-6-14/h5-13H,1-4H3,(H,22,23)/b12-7+
InChIKeyAQSYUQZQIPPRLN-KPKJPENVSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)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)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 100829899
methyl 5-bromo-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19168701
N-(2-bromo-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76943432
3-hydroxy-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 108766502
4-tert-butyl-N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17235009
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
(E)-N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6231391
(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 6146604
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3744074
N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 1186028
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 7769944

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 53268497) is (E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1.
What is the InChIKey of (E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is AQSYUQZQIPPRLN-KPKJPENVSA-N. The full InChI is InChI=1S/C20H22BrNO2/c1-20(2,3)15-8-11-18(17(21)13-15)22-19(23)12-7-14-5-9-16(24-4)10-6-14/h5-13H,1-4H3,(H,22,23)/b12-7+.
What are the key properties of (E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 388.31 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 53268497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).