(Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide

C22H24BrNO3 — CID 58433894

About (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide

(Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 58433894) has the molecular formula C22H24BrNO3 and a molecular weight of 430.34 g/mol. Its IUPAC name is (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

• Compound Name: (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide
• PubChem CID: 58433894
• Molecular Formula: C22H24BrNO3
• Molecular Weight: 430.34 g/mol
• Exact Mass: 429.09
• IUPAC Name: (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide
• SMILES: CC(C)=CCc1c(C)ccc(/C=C\C(=O)NO)c1OCc1ccc(Br)cc1
• InChI: InChI=1S/C22H24BrNO3/c1-15(2)4-12-20-16(3)5-8-18(9-13-21(25)24-26)22(20)27-14-17-6-10-19(23)11-7-17/h4-11,13,26H,12,14H2,1-3H3,(H,24,25)/b13-9-
• InChIKey: MJABQBSMSHAICH-LCYFTJDESA-N
• XLogP: 5.36
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.34
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide?

The IUPAC name of (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide (CID 58433894) is (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide.

What is the SMILES notation for (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide?

The canonical SMILES for (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide is CC(C)=CCc1c(C)ccc(/C=C\C(=O)NO)c1OCc1ccc(Br)cc1.

What is the InChIKey of (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide?

The InChIKey is MJABQBSMSHAICH-LCYFTJDESA-N. The full InChI is InChI=1S/C22H24BrNO3/c1-15(2)4-12-20-16(3)5-8-18(9-13-21(25)24-26)22(20)27-14-17-6-10-19(23)11-7-17/h4-11,13,26H,12,14H2,1-3H3,(H,24,25)/b13-9-.

What are the key properties of (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide?

(Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 430.34 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 58433894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).