4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid

C20H25NO6 — CID 2843652

IUPAC4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc2c(OCCCCN3CCOCC3)cccc2c1
InChIInChI=1S/C18H23NO2.C2H2O4/c1-2-8-17-16(6-1)7-5-9-18(17)21-13-4-3-10-19-11-14-20-15-12-19;3-1(4)2(5)6/h1-2,5-9H,3-4,10-15H2;(H,3,4)(H,5,6)
InChIKeyDTKWNRBKZPVYFI-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.49
Rot. Bonds6

About 4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid

4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid (PubChem CID 2843652) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid.

Molecular Properties

Compound Name4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid
PubChem CID2843652
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc2c(OCCCCN3CCOCC3)cccc2c1
InChIInChI=1S/C18H23NO2.C2H2O4/c1-2-8-17-16(6-1)7-5-9-18(17)21-13-4-3-10-19-11-14-20-15-12-19;3-1(4)2(5)6/h1-2,5-9H,3-4,10-15H2;(H,3,4)(H,5,6)
InChIKeyDTKWNRBKZPVYFI-UHFFFAOYSA-N
XLogP2.49
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid?
The IUPAC name of 4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid (CID 2843652) is 4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid.
What is the SMILES notation for 4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid?
The canonical SMILES for 4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid is O=C(O)C(=O)O.c1ccc2c(OCCCCN3CCOCC3)cccc2c1.
What is the InChIKey of 4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid?
The InChIKey is DTKWNRBKZPVYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.C2H2O4/c1-2-8-17-16(6-1)7-5-9-18(17)21-13-4-3-10-19-11-14-20-15-12-19;3-1(4)2(5)6/h1-2,5-9H,3-4,10-15H2;(H,3,4)(H,5,6).
What are the key properties of 4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid?
4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid has a molecular weight of 375.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-1-yloxybutyl)morpholine;oxalic acid is sourced from PubChem (CID 2843652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).