3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide

C26H34ClNO2 — CID 57173697

IUPAC3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide
SMILESCN(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C26H34ClNO2/c1-25(2,3)21-16-19(17-22(24(21)30)26(4,5)6)14-15-28(7)23(29)13-10-18-8-11-20(27)12-9-18/h8-13,16-17,30H,14-15H2,1-7H3
InChIKeyZYNNIXVAZIOGCC-UHFFFAOYSA-N
MW428.02 g/mol
LogP6.35
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide

3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide (PubChem CID 57173697) has the molecular formula C26H34ClNO2 and a molecular weight of 428.02 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide
PubChem CID57173697
Molecular FormulaC26H34ClNO2
Molecular Weight428.02 g/mol
Exact Mass427.23
IUPAC Name3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide
SMILESCN(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C26H34ClNO2/c1-25(2,3)21-16-19(17-22(24(21)30)26(4,5)6)14-15-28(7)23(29)13-10-18-8-11-20(27)12-9-18/h8-13,16-17,30H,14-15H2,1-7H3
InChIKeyZYNNIXVAZIOGCC-UHFFFAOYSA-N
XLogP6.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.02
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-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

(2E)-3-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide
CID 10040557
(2E)-N-[4-(4-chlorophenyl)butyl]-3-(4-hydroxyphenyl)acrylamide
CID 10496625
(2E)-N-[2-(4-chlorophenyl)ethyl]-3-(4-hydroxyphenyl)acrylamide
CID 10614270
(E)-N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 145981331
(E)-N-[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 145987439
(2E)-3-(4-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]acrylamide
CID 10518434
(1E,4Z,6E)-1-(4-chlorophenyl)-7-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-5-hydroxyhepta-1,4,6-trien-3-one
CID 72947666
2,6-ditert-butyl-4-[(S)-(4-chlorophenyl)-piperidin-1-ylmethyl]phenol
CID 2129967
N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-fluoro-N-(2-phenylethyl)acetamide
CID 20320296
1-[(3-Tert-butyl-4-hydroxyphenyl)-(4-chlorophenyl)methyl]pyrrolidin-2-one
CID 146169228
1-[(4-Chlorophenyl)-(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pyrrolidin-2-one
CID 146170313
(5Z)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 49906086

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide (CID 57173697) is 3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide is CN(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide?
The InChIKey is ZYNNIXVAZIOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClNO2/c1-25(2,3)21-16-19(17-22(24(21)30)26(4,5)6)14-15-28(7)23(29)13-10-18-8-11-20(27)12-9-18/h8-13,16-17,30H,14-15H2,1-7H3.
What are the key properties of 3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide?
3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide has a molecular weight of 428.02 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 57173697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).