N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid

C26H37NO7 — CID 18986926

IUPACN-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
SMILESCCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(OC)cc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C24H35NO3.C2H2O4/c1-5-15-25(16-6-2)17-13-21-9-12-23(27-4)24(19-21)28-18-14-20-7-10-22(26-3)11-8-20;3-1(4)2(5)6/h7-12,19H,5-6,13-18H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyFOYZESNRYVBKAG-UHFFFAOYSA-N
MW475.58 g/mol
LogP4.15
Rot. Bonds13

About N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid

N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid (PubChem CID 18986926) has the molecular formula C26H37NO7 and a molecular weight of 475.58 g/mol. Its IUPAC name is N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
PubChem CID18986926
Molecular FormulaC26H37NO7
Molecular Weight475.58 g/mol
Exact Mass475.26
IUPAC NameN-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
SMILESCCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(OC)cc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C24H35NO3.C2H2O4/c1-5-15-25(16-6-2)17-13-21-9-12-23(27-4)24(19-21)28-18-14-20-7-10-22(26-3)11-8-20;3-1(4)2(5)6/h7-12,19H,5-6,13-18H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyFOYZESNRYVBKAG-UHFFFAOYSA-N
XLogP4.15
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid?
The IUPAC name of N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid (CID 18986926) is N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid.
What is the SMILES notation for N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid?
The canonical SMILES for N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid is CCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(OC)cc2)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid?
The InChIKey is FOYZESNRYVBKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3.C2H2O4/c1-5-15-25(16-6-2)17-13-21-9-12-23(27-4)24(19-21)28-18-14-20-7-10-22(26-3)11-8-20;3-1(4)2(5)6/h7-12,19H,5-6,13-18H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid?
N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid has a molecular weight of 475.58 g/mol, XLogP of 4.15, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid is sourced from PubChem (CID 18986926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).