2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine

C18H30NO5P — CID 11545206

IUPAC2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine
SMILESNC1(CCCCCCCCOCc2ccccc2)COP(=O)(O)OC1
InChIInChI=1S/C18H30NO5P/c19-18(15-23-25(20,21)24-16-18)12-8-3-1-2-4-9-13-22-14-17-10-6-5-7-11-17/h5-7,10-11H,1-4,8-9,12-16,19H2,(H,20,21)
InChIKeyXGJISEFIDGCXKI-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.78
Rot. Bonds11

About 2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine

2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine (PubChem CID 11545206) has the molecular formula C18H30NO5P and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine.

Molecular Properties

Compound Name2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine
PubChem CID11545206
Molecular FormulaC18H30NO5P
Molecular Weight371.41 g/mol
Exact Mass371.19
IUPAC Name2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine
SMILESNC1(CCCCCCCCOCc2ccccc2)COP(=O)(O)OC1
InChIInChI=1S/C18H30NO5P/c19-18(15-23-25(20,21)24-16-18)12-8-3-1-2-4-9-13-22-14-17-10-6-5-7-11-17/h5-7,10-11H,1-4,8-9,12-16,19H2,(H,20,21)
InChIKeyXGJISEFIDGCXKI-UHFFFAOYSA-N
XLogP3.78
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 135358353
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
azane;hexoxymethylbenzene
CID 174805489
(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane
CID 102021945
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
bis(carbon dioxide);9-[2-ethyl-1-(9-hydroxynonyl)cyclopropyl]nonan-1-ol;9-[2-ethyl-1-(9-phenylmethoxynonyl)cyclopropyl]nonoxymethylbenzene
CID 161446507
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine?
The IUPAC name of 2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine (CID 11545206) is 2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine.
What is the SMILES notation for 2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine?
The canonical SMILES for 2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine is NC1(CCCCCCCCOCc2ccccc2)COP(=O)(O)OC1.
What is the InChIKey of 2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine?
The InChIKey is XGJISEFIDGCXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NO5P/c19-18(15-23-25(20,21)24-16-18)12-8-3-1-2-4-9-13-22-14-17-10-6-5-7-11-17/h5-7,10-11H,1-4,8-9,12-16,19H2,(H,20,21).
What are the key properties of 2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine?
2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine has a molecular weight of 371.41 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-oxo-5-(8-phenylmethoxyoctyl)-1,3,2λ5-dioxaphosphinan-5-amine is sourced from PubChem (CID 11545206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).