2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid

C18H27NO7 — CID 2935417

IUPAC2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid
SMILESC=CCc1ccc(OCCOCCN(C)C)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H25NO3.C2H2O4/c1-5-6-14-7-8-15(16(13-14)18-4)20-12-11-19-10-9-17(2)3;3-1(4)2(5)6/h5,7-8,13H,1,6,9-12H2,2-4H3;(H,3,4)(H,5,6)
InChIKeyNKBLSBRVMXFIDR-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.54
Rot. Bonds10

About 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid

2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid (PubChem CID 2935417) has the molecular formula C18H27NO7 and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid.

Molecular Properties

Compound Name2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid
PubChem CID2935417
Molecular FormulaC18H27NO7
Molecular Weight369.41 g/mol
Exact Mass369.18
IUPAC Name2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid
SMILESC=CCc1ccc(OCCOCCN(C)C)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H25NO3.C2H2O4/c1-5-6-14-7-8-15(16(13-14)18-4)20-12-11-19-10-9-17(2)3;3-1(4)2(5)6/h5,7-8,13H,1,6,9-12H2,2-4H3;(H,3,4)(H,5,6)
InChIKeyNKBLSBRVMXFIDR-UHFFFAOYSA-N
XLogP1.54
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]azepane;oxalic acid
CID 2944725
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 16614115
(E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 162516150
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2284242
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2183688
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid?
The IUPAC name of 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid (CID 2935417) is 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid.
What is the SMILES notation for 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid?
The canonical SMILES for 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid is C=CCc1ccc(OCCOCCN(C)C)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid?
The InChIKey is NKBLSBRVMXFIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3.C2H2O4/c1-5-6-14-7-8-15(16(13-14)18-4)20-12-11-19-10-9-17(2)3;3-1(4)2(5)6/h5,7-8,13H,1,6,9-12H2,2-4H3;(H,3,4)(H,5,6).
What are the key properties of 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid?
2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid has a molecular weight of 369.41 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid is sourced from PubChem (CID 2935417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).