disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate

C16H20NNa2O6P — CID 70291925

IUPACdisodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate
SMILESCCNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/C16H19NO2.2Na.H3O4P/c1-4-17-16(18)11(2)12-5-6-14-10-15(19-3)8-7-13(14)9-12;;;1-5(2,3)4/h5-11H,4H2,1-3H3,(H,17,18);;;(H3,1,2,3,4)/q;2*+1;/p-2/t11-;;;/m0.../s1
InChIKeyWTKWMKYTEWBJPW-XVSRHIFFSA-L
MW399.29 g/mol
LogP-5.10
Rot. Bonds4

About disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate

disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate (PubChem CID 70291925) has the molecular formula C16H20NNa2O6P and a molecular weight of 399.29 g/mol. Its IUPAC name is disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate.

Molecular Properties

Compound Namedisodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate
PubChem CID70291925
Molecular FormulaC16H20NNa2O6P
Molecular Weight399.29 g/mol
Exact Mass399.08
IUPAC Namedisodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate
SMILESCCNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/C16H19NO2.2Na.H3O4P/c1-4-17-16(18)11(2)12-5-6-14-10-15(19-3)8-7-13(14)9-12;;;1-5(2,3)4/h5-11H,4H2,1-3H3,(H,17,18);;;(H3,1,2,3,4)/q;2*+1;/p-2/t11-;;;/m0.../s1
InChIKeyWTKWMKYTEWBJPW-XVSRHIFFSA-L
XLogP-5.10
TPSA121.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 5-5.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 119505947
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
[2-(6-methoxynaphthalen-2-yl)propanoylamino]methyl methanesulfonate
CID 18682703
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42917740
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951625
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951624
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 54790218
ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid
CID 88696852

Frequently Asked Questions

What is the IUPAC name of disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate?
The IUPAC name of disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate (CID 70291925) is disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate.
What is the SMILES notation for disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate?
The canonical SMILES for disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate is CCNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1.O=P([O-])([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate?
The InChIKey is WTKWMKYTEWBJPW-XVSRHIFFSA-L. The full InChI is InChI=1S/C16H19NO2.2Na.H3O4P/c1-4-17-16(18)11(2)12-5-6-14-10-15(19-3)8-7-13(14)9-12;;;1-5(2,3)4/h5-11H,4H2,1-3H3,(H,17,18);;;(H3,1,2,3,4)/q;2*+1;/p-2/t11-;;;/m0.../s1.
What are the key properties of disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate?
disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate has a molecular weight of 399.29 g/mol, XLogP of -5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate is sourced from PubChem (CID 70291925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).