2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide

C27H31NO4 — CID 134249282

IUPAC2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide
SMILESCc1cc(OCC(=O)NO)cc(C)c1Cc1ccc(OCc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C27H31NO4/c1-18(2)24-14-22(10-11-26(24)32-16-21-8-6-5-7-9-21)15-25-19(3)12-23(13-20(25)4)31-17-27(29)28-30/h5-14,18,30H,15-17H2,1-4H3,(H,28,29)
InChIKeyNNQACXOCRRSOJR-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.48
Rot. Bonds9

About 2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide

2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide (PubChem CID 134249282) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide
PubChem CID134249282
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide
SMILESCc1cc(OCC(=O)NO)cc(C)c1Cc1ccc(OCc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C27H31NO4/c1-18(2)24-14-22(10-11-26(24)32-16-21-8-6-5-7-9-21)15-25-19(3)12-23(13-20(25)4)31-17-27(29)28-30/h5-14,18,30H,15-17H2,1-4H3,(H,28,29)
InChIKeyNNQACXOCRRSOJR-UHFFFAOYSA-N
XLogP5.48
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.48
H-Bond Donors ≤ 52
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

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
2-(2-Naphthyloxy)acetamide
CID 3015768
O-[(2-Methoxynaphth-1-yl)Methyl]-N-Acetylhydroxylamine
CID 19967247
3-[4-[3-(1-Adamantyl)-4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid
CID 141632482
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
N-hydroxy-2-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide
CID 71586535
1-Aminopropan-2-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate
CID 122475662

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide?
The IUPAC name of 2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide (CID 134249282) is 2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide?
The canonical SMILES for 2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide is Cc1cc(OCC(=O)NO)cc(C)c1Cc1ccc(OCc2ccccc2)c(C(C)C)c1.
What is the InChIKey of 2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide?
The InChIKey is NNQACXOCRRSOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-18(2)24-14-22(10-11-26(24)32-16-21-8-6-5-7-9-21)15-25-19(3)12-23(13-20(25)4)31-17-27(29)28-30/h5-14,18,30H,15-17H2,1-4H3,(H,28,29).
What are the key properties of 2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide?
2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide has a molecular weight of 433.55 g/mol, XLogP of 5.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-hydroxyacetamide is sourced from PubChem (CID 134249282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).