N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid

C28H31NO7 — CID 56946473

IUPACN-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid
SMILESCOc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1.O=C(O)C(=O)O
InChIInChI=1S/C26H29NO3.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-20-23-16-17-26(30-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)
InChIKeyKLARVYJBBKSBKO-UHFFFAOYSA-N
MW493.56 g/mol
LogP3.94
Rot. Bonds9

About N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid

N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid (PubChem CID 56946473) has the molecular formula C28H31NO7 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid
PubChem CID56946473
Molecular FormulaC28H31NO7
Molecular Weight493.56 g/mol
Exact Mass493.21
IUPAC NameN-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid
SMILESCOc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1.O=C(O)C(=O)O
InChIInChI=1S/C26H29NO3.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-20-23-16-17-26(30-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)
InChIKeyKLARVYJBBKSBKO-UHFFFAOYSA-N
XLogP3.94
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid?
The IUPAC name of N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid (CID 56946473) is N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid.
What is the SMILES notation for N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid?
The canonical SMILES for N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid is COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1.O=C(O)C(=O)O.
What is the InChIKey of N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid?
The InChIKey is KLARVYJBBKSBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-20-23-16-17-26(30-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid?
N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid has a molecular weight of 493.56 g/mol, XLogP of 3.94, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-diphenyloxolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid is sourced from PubChem (CID 56946473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).