sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide

C18H22NNaO3 — CID 173366531

IUPACsodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide
SMILESCC(=O)N(O)C(C)c1ccc(OC(C)c2ccccc2)cc1.[H-].[Na+]
InChIInChI=1S/C18H21NO3.Na.H/c1-13(19(21)15(3)20)16-9-11-18(12-10-16)22-14(2)17-7-5-4-6-8-17;;/h4-14,21H,1-3H3;;/q;+1;-1
InChIKeyVJYXJXXZFFAXBD-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.24
Rot. Bonds5

About sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide

sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide (PubChem CID 173366531) has the molecular formula C18H22NNaO3 and a molecular weight of 323.37 g/mol. Its IUPAC name is sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Namesodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide
PubChem CID173366531
Molecular FormulaC18H22NNaO3
Molecular Weight323.37 g/mol
Exact Mass323.15
IUPAC Namesodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide
SMILESCC(=O)N(O)C(C)c1ccc(OC(C)c2ccccc2)cc1.[H-].[Na+]
InChIInChI=1S/C18H21NO3.Na.H/c1-13(19(21)15(3)20)16-9-11-18(12-10-16)22-14(2)17-7-5-4-6-8-17;;/h4-14,21H,1-3H3;;/q;+1;-1
InChIKeyVJYXJXXZFFAXBD-UHFFFAOYSA-N
XLogP1.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide
CID 88651998
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea
CID 19868741
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
CID 19828168
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
N-hydroxy-N-[1-(6-methoxynaphthalen-2-yl)ethyl]acetamide
CID 57042086
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
CID 19868724
N-hydroxy-N-(1-phenylethyl)benzamide
CID 23260477

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide?
The IUPAC name of sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide (CID 173366531) is sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide is CC(=O)N(O)C(C)c1ccc(OC(C)c2ccccc2)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide?
The InChIKey is VJYXJXXZFFAXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3.Na.H/c1-13(19(21)15(3)20)16-9-11-18(12-10-16)22-14(2)17-7-5-4-6-8-17;;/h4-14,21H,1-3H3;;/q;+1;-1.
What are the key properties of sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide?
sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 173366531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).