N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide

C28H42N2O4 — CID 57203285

About N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide

N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide (PubChem CID 57203285) has the molecular formula C28H42N2O4 and a molecular weight of 470.65 g/mol. Its IUPAC name is N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide.

Molecular Properties

• Compound Name: N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide
• PubChem CID: 57203285
• Molecular Formula: C28H42N2O4
• Molecular Weight: 470.65 g/mol
• Exact Mass: 470.31
• IUPAC Name: N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide
• SMILES: CCCCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)N(O)c1ccc(O)c(N)c1
• InChI: InChI=1S/C28H42N2O4/c1-8-11-12-25(26(32)30(33)20-14-15-23(31)22(29)18-20)34-24-16-13-19(27(4,5)9-2)17-21(24)28(6,7)10-3/h13-18,25,31,33H,8-12,29H2,1-7H3
• InChIKey: SIXXCWJMJIEXCJ-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 96.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.65
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide?

The IUPAC name of N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide (CID 57203285) is N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide.

What is the SMILES notation for N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide?

The canonical SMILES for N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide is CCCCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)N(O)c1ccc(O)c(N)c1.

What is the InChIKey of N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide?

The InChIKey is SIXXCWJMJIEXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O4/c1-8-11-12-25(26(32)30(33)20-14-15-23(31)22(29)18-20)34-24-16-13-19(27(4,5)9-2)17-21(24)28(6,7)10-3/h13-18,25,31,33H,8-12,29H2,1-7H3.

What are the key properties of N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide?

N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide has a molecular weight of 470.65 g/mol, XLogP of 6.71, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide is sourced from PubChem (CID 57203285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).