N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide

C26H37NO5 — CID 71617054

IUPACN-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide
SMILESCCC(CC)(c1ccc(OCC(=O)NO)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C26H37NO5/c1-7-26(8-2,19-9-12-21(13-10-19)31-17-24(29)27-30)20-11-14-22(18(3)15-20)32-16-23(28)25(4,5)6/h9-15,23,28,30H,7-8,16-17H2,1-6H3,(H,27,29)
InChIKeyYYRILWRYXVXXQH-UHFFFAOYSA-N
MW443.58 g/mol
LogP4.77
Rot. Bonds10

About N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide

N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide (PubChem CID 71617054) has the molecular formula C26H37NO5 and a molecular weight of 443.58 g/mol. Its IUPAC name is N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide
PubChem CID71617054
Molecular FormulaC26H37NO5
Molecular Weight443.58 g/mol
Exact Mass443.27
IUPAC NameN-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide
SMILESCCC(CC)(c1ccc(OCC(=O)NO)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C26H37NO5/c1-7-26(8-2,19-9-12-21(13-10-19)31-17-24(29)27-30)20-11-14-22(18(3)15-20)32-16-23(28)25(4,5)6/h9-15,23,28,30H,7-8,16-17H2,1-6H3,(H,27,29)
InChIKeyYYRILWRYXVXXQH-UHFFFAOYSA-N
XLogP4.77
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

LG190178
CID 15521397
(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol
CID 24936209
(2r)-2-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)pentan-3-Yl]-2-Methylphenoxy}butane-1,4-Diol
CID 56603803
N-Hydroxy-2-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)pentan-3-Yl]-2-Methylphenoxy}acetamide
CID 60167574
N-Hydroxy-2-{4-[3-(4-{[(2s)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)pentan-3-Yl]-2-Methylphenoxy}acetamide
CID 60167573
(2S,3S)-3-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]butane-1,2,4-triol
CID 56669637
1-[4-[3-[4-(2,3-Dihydroxypropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-3,3-dimethylbutan-2-one
CID 20647489
(R)-3-(4-(3-(4-((S)-2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)propane-1,2-diol
CID 44455867
(R)-3-(4-(3-(4-((R)-2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)propane-1,2-diol
CID 44455886
(S)-3-(4-(3-(4-((S)-2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)propane-1,2-diol
CID 44455888
(R)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)-3,3-dimethylbutan-2-one
CID 52944606
(S)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)-3,3-dimethylbutan-2-one
CID 52949572

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide?
The IUPAC name of N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide (CID 71617054) is N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide is CCC(CC)(c1ccc(OCC(=O)NO)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1.
What is the InChIKey of N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide?
The InChIKey is YYRILWRYXVXXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO5/c1-7-26(8-2,19-9-12-21(13-10-19)31-17-24(29)27-30)20-11-14-22(18(3)15-20)32-16-23(28)25(4,5)6/h9-15,23,28,30H,7-8,16-17H2,1-6H3,(H,27,29).
What are the key properties of N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide?
N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide has a molecular weight of 443.58 g/mol, XLogP of 4.77, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide is sourced from PubChem (CID 71617054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).