N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide

C20H25NO4 — CID 134249285

IUPACN-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)NO)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C20H25NO4/c1-12(2)17-9-15(5-6-19(17)22)10-18-13(3)7-16(8-14(18)4)25-11-20(23)21-24/h5-9,12,22,24H,10-11H2,1-4H3,(H,21,23)
InChIKeyFBOJGMJVYABJQA-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.61
Rot. Bonds6

About N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide

N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (PubChem CID 134249285) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
PubChem CID134249285
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)NO)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C20H25NO4/c1-12(2)17-9-15(5-6-19(17)22)10-18-13(3)7-16(8-14(18)4)25-11-20(23)21-24/h5-9,12,22,24H,10-11H2,1-4H3,(H,21,23)
InChIKeyFBOJGMJVYABJQA-UHFFFAOYSA-N
XLogP3.61
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Sobetirome
CID 9862248
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
{4-[1-(4-Hydroxy-3-isopropyl-phenyl)-but-3-enyl]-3,5-dimethyl-phenoxy}-acetic acid
CID 9799416
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N,N-dimethylacetamide
CID 155534195
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide
CID 155546145
{4-[4-Hydroxy-1-(4-hydroxy-3-isopropyl-phenyl)-butyl]-3,5-dimethyl-phenoxy}-acetic acid
CID 9908218
N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]acetamide
CID 71617054
2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]acetamide
CID 73353441
Sob-AM2
CID 134249304
2-[4-[4-(4-Hydroxyphenyl)hexan-3-yl]phenoxy]acetamide
CID 342951
2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]acetamide
CID 71681355

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The IUPAC name of N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (CID 134249285) is N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is Cc1cc(OCC(=O)NO)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The InChIKey is FBOJGMJVYABJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-12(2)17-9-15(5-6-19(17)22)10-18-13(3)7-16(8-14(18)4)25-11-20(23)21-24/h5-9,12,22,24H,10-11H2,1-4H3,(H,21,23).
What are the key properties of N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide has a molecular weight of 343.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is sourced from PubChem (CID 134249285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).