N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid

C18H24NO5P — CID 90050405

IUPACN-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid
SMILESC[C@H](NP(=O)(O)Oc1ccc2ccccc2c1)C(=O)OCC(C)(C)C
InChIInChI=1S/C18H24NO5P/c1-13(17(20)23-12-18(2,3)4)19-25(21,22)24-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13H,12H2,1-4H3,(H2,19,21,22)/t13-/m0/s1
InChIKeyQDWAPAKSIAVMPR-ZDUSSCGKSA-N
MW365.37 g/mol
LogP3.89
Rot. Bonds6

About N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid

N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid (PubChem CID 90050405) has the molecular formula C18H24NO5P and a molecular weight of 365.37 g/mol. Its IUPAC name is N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid.

Molecular Properties

Compound NameN-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid
PubChem CID90050405
Molecular FormulaC18H24NO5P
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC NameN-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid
SMILESC[C@H](NP(=O)(O)Oc1ccc2ccccc2c1)C(=O)OCC(C)(C)C
InChIInChI=1S/C18H24NO5P/c1-13(17(20)23-12-18(2,3)4)19-25(21,22)24-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13H,12H2,1-4H3,(H2,19,21,22)/t13-/m0/s1
InChIKeyQDWAPAKSIAVMPR-ZDUSSCGKSA-N
XLogP3.89
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[6-[chloro-[[1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]amino]phosphoryl]oxynaphthalen-2-yl]propanoate
CID 90965386
N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 122532077
(3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69006691
2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate
CID 122527458
(2-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69010591
2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 160852821
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-yloxyacetamide
CID 119605476
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
CID 122527443
methyl (2S)-2-[[2,2-dimethylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 176807905
3,3-dimethylbutyl (2S)-2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 86711792

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid?
The IUPAC name of N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid (CID 90050405) is N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid.
What is the SMILES notation for N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid?
The canonical SMILES for N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid is C[C@H](NP(=O)(O)Oc1ccc2ccccc2c1)C(=O)OCC(C)(C)C.
What is the InChIKey of N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid?
The InChIKey is QDWAPAKSIAVMPR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24NO5P/c1-13(17(20)23-12-18(2,3)4)19-25(21,22)24-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13H,12H2,1-4H3,(H2,19,21,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid?
N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid has a molecular weight of 365.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid is sourced from PubChem (CID 90050405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).