N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide

C17H19NO4 — CID 70681060

IUPACN-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide
SMILESCC(CO)(COc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H19NO4/c1-17(11-19,16(20)18-21)12-22-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,19,21H,11-12H2,1H3,(H,18,20)
InChIKeyNCTBWJKETXSISQ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.24
Rot. Bonds6

About N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide

N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide (PubChem CID 70681060) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide
PubChem CID70681060
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide
SMILESCC(CO)(COc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H19NO4/c1-17(11-19,16(20)18-21)12-22-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,19,21H,11-12H2,1H3,(H,18,20)
InChIKeyNCTBWJKETXSISQ-UHFFFAOYSA-N
XLogP2.24
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.24
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

N-hydroxy-7-(4-phenylphenoxy)heptanamide
CID 22915465
3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide
CID 10039403
3-[4-(3-Cyanomethylphenyl)phenoxy]propanohydroxamic acid
CID 9839147
3-(4-Phenylphenoxy)propanohydroxamic acid
CID 10587235
N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide
CID 56951002
(E)-N-hydroxy-3-[4-(2-phenylethoxy)phenyl]prop-2-enamide
CID 155560436
N-hydroxy-6-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenoxy]hexanamide
CID 89651611
N-hydroxy-4-[(4-phenylphenoxy)methyl]oxane-4-carboxamide
CID 118721344
N-hydroxy-3-(4-methylphenoxy)propanamide
CID 145983251
[Isopropylidenebis(p-phenyleneoxy)]dipropanol
CID 88553
3,3'-((1-Methylethylidene)bis(4,1-phenyleneoxy))dipropionodihydrazide
CID 23136118
US9428447, Jfd-15
CID 71616709

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide?
The IUPAC name of N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide (CID 70681060) is N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide is CC(CO)(COc1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide?
The InChIKey is NCTBWJKETXSISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-17(11-19,16(20)18-21)12-22-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,19,21H,11-12H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide?
N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide has a molecular weight of 301.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 70681060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).