sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide

C21H31N2NaO3 — CID 157239049

IUPACsodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide
SMILESCOCC(=O)N[C@H](C)c1ccc(C)cc1.Cc1ccc([C@@H](C)N)cc1.[Na+].[OH-]
InChIInChI=1S/C12H17NO2.C9H13N.Na.H2O/c1-9-4-6-11(7-5-9)10(2)13-12(14)8-15-3;1-7-3-5-9(6-4-7)8(2)10;;/h4-7,10H,8H2,1-3H3,(H,13,14);3-6,8H,10H2,1-2H3;;1H2/q;;+1;/p-1/t10-;8-;;/m11../s1
InChIKeyAUZIRODIZAIKRX-OTQIJVPKSA-M
MW382.48 g/mol
LogP0.66
Rot. Bonds5

About sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide

sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide (PubChem CID 157239049) has the molecular formula C21H31N2NaO3 and a molecular weight of 382.48 g/mol. Its IUPAC name is sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide.

Molecular Properties

Compound Namesodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide
PubChem CID157239049
Molecular FormulaC21H31N2NaO3
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Namesodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide
SMILESCOCC(=O)N[C@H](C)c1ccc(C)cc1.Cc1ccc([C@@H](C)N)cc1.[Na+].[OH-]
InChIInChI=1S/C12H17NO2.C9H13N.Na.H2O/c1-9-4-6-11(7-5-9)10(2)13-12(14)8-15-3;1-7-3-5-9(6-4-7)8(2)10;;/h4-7,10H,8H2,1-3H3,(H,13,14);3-6,8H,10H2,1-2H3;;1H2/q;;+1;/p-1/t10-;8-;;/m11../s1
InChIKeyAUZIRODIZAIKRX-OTQIJVPKSA-M
XLogP0.66
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 60638432
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide
CID 61278568
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid
CID 17267498
N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide
CID 107941740
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 95181161
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980169
N-[(1R)-1-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyacetamide;2-methoxy-N-[(1R)-1-(3-methoxy-4-methylphenyl)ethyl]acetamide;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;2-methoxy-N-[(1R)-1-phenylethyl]acetamide
CID 160994076
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446

Frequently Asked Questions

What is the IUPAC name of sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide?
The IUPAC name of sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide (CID 157239049) is sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide.
What is the SMILES notation for sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide?
The canonical SMILES for sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide is COCC(=O)N[C@H](C)c1ccc(C)cc1.Cc1ccc([C@@H](C)N)cc1.[Na+].[OH-].
What is the InChIKey of sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide?
The InChIKey is AUZIRODIZAIKRX-OTQIJVPKSA-M. The full InChI is InChI=1S/C12H17NO2.C9H13N.Na.H2O/c1-9-4-6-11(7-5-9)10(2)13-12(14)8-15-3;1-7-3-5-9(6-4-7)8(2)10;;/h4-7,10H,8H2,1-3H3,(H,13,14);3-6,8H,10H2,1-2H3;;1H2/q;;+1;/p-1/t10-;8-;;/m11../s1.
What are the key properties of sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide?
sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide has a molecular weight of 382.48 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide is sourced from PubChem (CID 157239049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).