N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide

C32H49NO5 — CID 71616935

IUPACN-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide
SMILESCCC(CC)(c1ccc(OCCCCCCC(=O)NO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C32H49NO5/c1-8-32(9-2,26-16-18-28(24(4)21-26)38-22-29(34)31(5,6)7)25-15-17-27(23(3)20-25)37-19-13-11-10-12-14-30(35)33-36/h15-18,20-21,29,34,36H,8-14,19,22H2,1-7H3,(H,33,35)
InChIKeyIUWOECDPGLZWQE-UHFFFAOYSA-N
MW527.75 g/mol
LogP7.03
Rot. Bonds15

About N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide

N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide (PubChem CID 71616935) has the molecular formula C32H49NO5 and a molecular weight of 527.75 g/mol. Its IUPAC name is N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide
PubChem CID71616935
Molecular FormulaC32H49NO5
Molecular Weight527.75 g/mol
Exact Mass527.36
IUPAC NameN-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide
SMILESCCC(CC)(c1ccc(OCCCCCCC(=O)NO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C32H49NO5/c1-8-32(9-2,26-16-18-28(24(4)21-26)38-22-29(34)31(5,6)7)25-15-17-27(23(3)20-25)37-19-13-11-10-12-14-30(35)33-36/h15-18,20-21,29,34,36H,8-14,19,22H2,1-7H3,(H,33,35)
InChIKeyIUWOECDPGLZWQE-UHFFFAOYSA-N
XLogP7.03
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.75
LogP ≤ 57.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

N-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]butanamide
CID 71616709
N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-8-oxooctanamide
CID 157095786
N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide
CID 157444540
7-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-N-hydroxyheptanamide
CID 134426097
1-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-3,3-dimethylbutan-2-one
CID 15521396
N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide
CID 178046335
1-(4-tert-butyl-2-methylphenoxy)-3,3-dimethylbutan-2-ol
CID 63467018
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
N-[[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]methyl]ethanesulfonamide
CID 10005775
N-[[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]methyl]methanesulfinamide
CID 10321987
5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-N,N-dimethylfuran-2-carboxamide
CID 11315993
3,3-dimethyl-1-[2-methyl-4-[3-[3-methyl-4-[2-(oxan-2-yloxy)ethoxy]phenyl]pentan-3-yl]phenoxy]butan-2-ol
CID 10940205

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide?
The IUPAC name of N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide (CID 71616935) is N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide.
What is the SMILES notation for N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide?
The canonical SMILES for N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide is CCC(CC)(c1ccc(OCCCCCCC(=O)NO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1.
What is the InChIKey of N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide?
The InChIKey is IUWOECDPGLZWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49NO5/c1-8-32(9-2,26-16-18-28(24(4)21-26)38-22-29(34)31(5,6)7)25-15-17-27(23(3)20-25)37-19-13-11-10-12-14-30(35)33-36/h15-18,20-21,29,34,36H,8-14,19,22H2,1-7H3,(H,33,35).
What are the key properties of N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide?
N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide has a molecular weight of 527.75 g/mol, XLogP of 7.03, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide is sourced from PubChem (CID 71616935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).