N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide

C19H23N2O5P — CID 10134965

IUPACN-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide
SMILESO=C(CN1CCCCOP1(=O)c1ccc(OCc2ccccc2)cc1)NO
InChIInChI=1S/C19H23N2O5P/c22-19(20-23)14-21-12-4-5-13-26-27(21,24)18-10-8-17(9-11-18)25-15-16-6-2-1-3-7-16/h1-3,6-11,23H,4-5,12-15H2,(H,20,22)
InChIKeyGTAPUZDVNGLHMB-UHFFFAOYSA-N
MW390.38 g/mol
LogP2.70
Rot. Bonds6

About N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide

N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide (PubChem CID 10134965) has the molecular formula C19H23N2O5P and a molecular weight of 390.38 g/mol. Its IUPAC name is N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide
PubChem CID10134965
Molecular FormulaC19H23N2O5P
Molecular Weight390.38 g/mol
Exact Mass390.13
IUPAC NameN-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide
SMILESO=C(CN1CCCCOP1(=O)c1ccc(OCc2ccccc2)cc1)NO
InChIInChI=1S/C19H23N2O5P/c22-19(20-23)14-21-12-4-5-13-26-27(21,24)18-10-8-17(9-11-18)25-15-16-6-2-1-3-7-16/h1-3,6-11,23H,4-5,12-15H2,(H,20,22)
InChIKeyGTAPUZDVNGLHMB-UHFFFAOYSA-N
XLogP2.70
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
[phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate
CID 90928866
4-phenylmethoxybenzoic acid
CID 68896574
1-bromo-4-phenylmethoxybenzene;oxolane
CID 175495084
N-hydroxy-2-[2-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]acetamide
CID 90915047
(E)-1-(azepan-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 724601
2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
CID 139794434
2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 9405904
[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
CID 46893513
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600
N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 3046011

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide?
The IUPAC name of N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide (CID 10134965) is N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide is O=C(CN1CCCCOP1(=O)c1ccc(OCc2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide?
The InChIKey is GTAPUZDVNGLHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2O5P/c22-19(20-23)14-21-12-4-5-13-26-27(21,24)18-10-8-17(9-11-18)25-15-16-6-2-1-3-7-16/h1-3,6-11,23H,4-5,12-15H2,(H,20,22).
What are the key properties of N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide?
N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide has a molecular weight of 390.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-oxo-2-(4-phenylmethoxyphenyl)-1,3,2λ5-oxazaphosphepan-3-yl]acetamide is sourced from PubChem (CID 10134965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).