4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid

C21H31NO7 — CID 3244531

IUPAC4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid
SMILESC=CCc1ccc(OCCCCCN2CCOCC2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H29NO3.C2H2O4/c1-3-7-17-8-9-18(19(16-17)21-2)23-13-6-4-5-10-20-11-14-22-15-12-20;3-1(4)2(5)6/h3,8-9,16H,1,4-7,10-15H2,2H3;(H,3,4)(H,5,6)
InChIKeyOEWIXQPDERDKDY-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.46
Rot. Bonds10

About 4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid

4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid (PubChem CID 3244531) has the molecular formula C21H31NO7 and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid
PubChem CID3244531
Molecular FormulaC21H31NO7
Molecular Weight409.48 g/mol
Exact Mass409.21
IUPAC Name4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid
SMILESC=CCc1ccc(OCCCCCN2CCOCC2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H29NO3.C2H2O4/c1-3-7-17-8-9-18(19(16-17)21-2)23-13-6-4-5-10-20-11-14-22-15-12-20;3-1(4)2(5)6/h3,8-9,16H,1,4-7,10-15H2,2H3;(H,3,4)(H,5,6)
InChIKeyOEWIXQPDERDKDY-UHFFFAOYSA-N
XLogP2.46
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.46
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

N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine
CID 9841596
N,N-Diethyl-2-(2-methoxy-4-(2-propen-1-yl)phenoxy)acetamide
CID 67538
N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986926
Methyl 3-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]propanoate
CID 13040909
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine
CID 2430929
1-[2-(4-Methylphenoxy)ethyl]pyrrolidine oxalate
CID 2847975
1-[4-(2,5-Dimethylphenoxy)butyl]piperidine oxalate
CID 2848306
4-(3-Methoxy-4-propoxy-benzyl)-morpholine
CID 16681971
4-[5-(4-Isopropylphenoxy)pentyl]morpholine
CID 24761434
1-[4-(4-Tert-butylphenoxy)butyl]-4-methylpiperidine;oxalic acid
CID 24792257
1-[4-(4-Isopropylphenoxy)butyl]piperidine
CID 24792262
2-(4-(3-Cyclopentyloxy-4-methoxyphenyl)-4-cyanopiperidin-1-yl)acetic acid
CID 10133035

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid?
The IUPAC name of 4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid (CID 3244531) is 4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid?
The canonical SMILES for 4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid is C=CCc1ccc(OCCCCCN2CCOCC2)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of 4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid?
The InChIKey is OEWIXQPDERDKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3.C2H2O4/c1-3-7-17-8-9-18(19(16-17)21-2)23-13-6-4-5-10-20-11-14-22-15-12-20;3-1(4)2(5)6/h3,8-9,16H,1,4-7,10-15H2,2H3;(H,3,4)(H,5,6).
What are the key properties of 4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid?
4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid has a molecular weight of 409.48 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]morpholine;oxalic acid is sourced from PubChem (CID 3244531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).