5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide

C29H43NO4 — CID 71617056

IUPAC5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide
SMILESCCC(CC)(c1ccc(OCCCCC(=O)NO)cc1)c1ccc(OCCC(C)(C)C)c(C)c1
InChIInChI=1S/C29H43NO4/c1-7-29(8-2,24-14-17-26(22(3)21-24)34-20-18-28(4,5)6)23-12-15-25(16-13-23)33-19-10-9-11-27(31)30-32/h12-17,21,32H,7-11,18-20H2,1-6H3,(H,30,31)
InChIKeyHVIMPOHADMMDPJ-UHFFFAOYSA-N
MW469.67 g/mol
LogP6.97
Rot. Bonds13

About 5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide

5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide (PubChem CID 71617056) has the molecular formula C29H43NO4 and a molecular weight of 469.67 g/mol. Its IUPAC name is 5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide
PubChem CID71617056
Molecular FormulaC29H43NO4
Molecular Weight469.67 g/mol
Exact Mass469.32
IUPAC Name5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide
SMILESCCC(CC)(c1ccc(OCCCCC(=O)NO)cc1)c1ccc(OCCC(C)(C)C)c(C)c1
InChIInChI=1S/C29H43NO4/c1-7-29(8-2,24-14-17-26(22(3)21-24)34-20-18-28(4,5)6)23-12-15-25(16-13-23)33-19-10-9-11-27(31)30-32/h12-17,21,32H,7-11,18-20H2,1-6H3,(H,30,31)
InChIKeyHVIMPOHADMMDPJ-UHFFFAOYSA-N
XLogP6.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide?
The IUPAC name of 5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide (CID 71617056) is 5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide.
What is the SMILES notation for 5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide?
The canonical SMILES for 5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide is CCC(CC)(c1ccc(OCCCCC(=O)NO)cc1)c1ccc(OCCC(C)(C)C)c(C)c1.
What is the InChIKey of 5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide?
The InChIKey is HVIMPOHADMMDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO4/c1-7-29(8-2,24-14-17-26(22(3)21-24)34-20-18-28(4,5)6)23-12-15-25(16-13-23)33-19-10-9-11-27(31)30-32/h12-17,21,32H,7-11,18-20H2,1-6H3,(H,30,31).
What are the key properties of 5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide?
5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide has a molecular weight of 469.67 g/mol, XLogP of 6.97, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]-N-hydroxypentanamide is sourced from PubChem (CID 71617056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).