(E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide

C15H20BrNO2 — CID 734157

IUPAC(E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide
SMILESCCOc1ccc(Br)cc1/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C15H20BrNO2/c1-5-19-13-8-7-12(16)10-11(13)6-9-14(18)17-15(2,3)4/h6-10H,5H2,1-4H3,(H,17,18)/b9-6+
InChIKeyZMFWDIGJSQNWBG-RMKNXTFCSA-N
MW326.23 g/mol
LogP3.78
Rot. Bonds4

About (E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide

(E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide (PubChem CID 734157) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide
PubChem CID734157
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide
SMILESCCOc1ccc(Br)cc1/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C15H20BrNO2/c1-5-19-13-8-7-12(16)10-11(13)6-9-14(18)17-15(2,3)4/h6-10H,5H2,1-4H3,(H,17,18)/b9-6+
InChIKeyZMFWDIGJSQNWBG-RMKNXTFCSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-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-(5-bromo-2-ethoxyphenyl)-1-(4-bromophenyl)prop-2-en-1-one
CID 19541408
3-(5-bromo-2-ethoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 4096467
2-[[(E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 102534622
(E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide
CID 53267913
(E)-3-(5-bromo-2-fluorophenyl)-N-tert-butylprop-2-enamide
CID 8779992
3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 1182153
3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4099886
(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 7935033
(E)-3-(5-bromo-2-ethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 19185287
propan-2-yl 4-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]benzoate
CID 4670239
2-[3-(5-bromo-2-propoxyphenyl)prop-2-enoylamino]acetic acid
CID 131846401
ethyl 2-[2-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]-1,3-thiazol-4-yl]acetate
CID 1182155

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide?
The IUPAC name of (E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide (CID 734157) is (E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide?
The canonical SMILES for (E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide is CCOc1ccc(Br)cc1/C=C/C(=O)NC(C)(C)C.
What is the InChIKey of (E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide?
The InChIKey is ZMFWDIGJSQNWBG-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-5-19-13-8-7-12(16)10-11(13)6-9-14(18)17-15(2,3)4/h6-10H,5H2,1-4H3,(H,17,18)/b9-6+.
What are the key properties of (E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide?
(E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide has a molecular weight of 326.23 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide is sourced from PubChem (CID 734157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).