N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid

C18H29NO6 — CID 2923948

IUPACN-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid
SMILESCCc1cccc(OCCOCCNC(C)(C)C)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H27NO2.C2H2O4/c1-5-14-7-6-8-15(13-14)19-12-11-18-10-9-17-16(2,3)4;3-1(4)2(5)6/h6-8,13,17H,5,9-12H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyUEMVQMXYIHXLNG-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.19
Rot. Bonds8

About N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid

N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid (PubChem CID 2923948) has the molecular formula C18H29NO6 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid.

Molecular Properties

Compound NameN-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid
PubChem CID2923948
Molecular FormulaC18H29NO6
Molecular Weight355.43 g/mol
Exact Mass355.20
IUPAC NameN-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid
SMILESCCc1cccc(OCCOCCNC(C)(C)C)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H27NO2.C2H2O4/c1-5-14-7-6-8-15(13-14)19-12-11-18-10-9-17-16(2,3)4;3-1(4)2(5)6/h6-8,13,17H,5,9-12H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyUEMVQMXYIHXLNG-UHFFFAOYSA-N
XLogP2.19
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2922395
N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid
CID 2865974
2-[2-[3-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63058258
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934633
4-O-[2-(3-ethylphenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308189
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate
CID 2922326
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 55303914
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid?
The IUPAC name of N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid (CID 2923948) is N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid.
What is the SMILES notation for N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid?
The canonical SMILES for N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid is CCc1cccc(OCCOCCNC(C)(C)C)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid?
The InChIKey is UEMVQMXYIHXLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2.C2H2O4/c1-5-14-7-6-8-15(13-14)19-12-11-18-10-9-17-16(2,3)4;3-1(4)2(5)6/h6-8,13,17H,5,9-12H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid?
N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid has a molecular weight of 355.43 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid is sourced from PubChem (CID 2923948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).