oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine

C20H31NO6 — CID 24761434

IUPACoxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine
SMILESCC(C)c1ccc(OCCCCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO2.C2H2O4/c1-16(2)17-6-8-18(9-7-17)21-13-5-3-4-10-19-11-14-20-15-12-19;3-1(4)2(5)6/h6-9,16H,3-5,10-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyTUWIFIRQRALBPF-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.85
Rot. Bonds8

About oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine

oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine (PubChem CID 24761434) has the molecular formula C20H31NO6 and a molecular weight of 381.47 g/mol. Its IUPAC name is oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine.

Molecular Properties

Compound Nameoxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine
PubChem CID24761434
Molecular FormulaC20H31NO6
Molecular Weight381.47 g/mol
Exact Mass381.22
IUPAC Nameoxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine
SMILESCC(C)c1ccc(OCCCCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO2.C2H2O4/c1-16(2)17-6-8-18(9-7-17)21-13-5-3-4-10-19-11-14-20-15-12-19;3-1(4)2(5)6/h6-9,16H,3-5,10-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyTUWIFIRQRALBPF-UHFFFAOYSA-N
XLogP2.85
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.85
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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Related Compounds

N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986926
4-{2-[2-(2-Biphenylyloxy)ethoxy]ethyl}morpholine oxalate
CID 2923755
2-Isopropylphenyl 5-(4-morpholinyl)pentyl ether
CID 1825303
1-[2-(4-Methylphenoxy)ethyl]pyrrolidine oxalate
CID 2847975
1-[4-(2,5-Dimethylphenoxy)butyl]piperidine oxalate
CID 2848306
4-[2-(2,6-Dimethylphenoxy)ethyl]morpholine oxalate
CID 2848544
1-[3-(2-Isopropylphenoxy)propyl]pyrrolidine oxalate
CID 2865694
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 4384413
1-(3-Methylpiperidyl)-3-(4-phenylphenoxy)propan-2-ol
CID 16318028
4-Methylphenyl 6-(1-piperazinyl)hexyl ether
CID 23723896
4-[5-(4-Allyl-2-methoxyphenoxy)pentyl]morpholine
CID 3244531
1-[4-(4-Methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid
CID 24761392

Frequently Asked Questions

What is the IUPAC name of oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine?
The IUPAC name of oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine (CID 24761434) is oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine.
What is the SMILES notation for oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine?
The canonical SMILES for oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine is CC(C)c1ccc(OCCCCCN2CCOCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine?
The InChIKey is TUWIFIRQRALBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.C2H2O4/c1-16(2)17-6-8-18(9-7-17)21-13-5-3-4-10-19-11-14-20-15-12-19;3-1(4)2(5)6/h6-9,16H,3-5,10-15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine?
oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine has a molecular weight of 381.47 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;4-[5-(4-propan-2-ylphenoxy)pentyl]morpholine is sourced from PubChem (CID 24761434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).