4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid

C19H29NO7 — CID 2935143

IUPAC4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCOc1cccc(OCCCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO3.C2H2O4/c1-14-12-18(13-15(2)21-14)9-4-5-10-20-17-8-6-7-16(11-17)19-3;3-1(4)2(5)6/h6-8,11,14-15H,4-5,9-10,12-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyLGSLKRWAPZOHPR-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.12
Rot. Bonds7

About 4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid

4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid (PubChem CID 2935143) has the molecular formula C19H29NO7 and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid.

Molecular Properties

Compound Name4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
PubChem CID2935143
Molecular FormulaC19H29NO7
Molecular Weight383.44 g/mol
Exact Mass383.19
IUPAC Name4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCOc1cccc(OCCCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO3.C2H2O4/c1-14-12-18(13-15(2)21-14)9-4-5-10-20-17-8-6-7-16(11-17)19-3;3-1(4)2(5)6/h6-8,11,14-15H,4-5,9-10,12-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyLGSLKRWAPZOHPR-UHFFFAOYSA-N
XLogP2.12
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The IUPAC name of 4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid (CID 2935143) is 4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid.
What is the SMILES notation for 4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The canonical SMILES for 4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid is COc1cccc(OCCCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O.
What is the InChIKey of 4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The InChIKey is LGSLKRWAPZOHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3.C2H2O4/c1-14-12-18(13-15(2)21-14)9-4-5-10-20-17-8-6-7-16(11-17)19-3;3-1(4)2(5)6/h6-8,11,14-15H,4-5,9-10,12-13H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid has a molecular weight of 383.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid is sourced from PubChem (CID 2935143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).