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

C24H33NO6 — CID 18986933

IUPACN-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
SMILESCCCN(CCC)CCc1ccc(OC)c(OCc2ccccc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C22H31NO2.C2H2O4/c1-4-14-23(15-5-2)16-13-19-11-12-21(24-3)22(17-19)25-18-20-9-7-6-8-10-20;3-1(4)2(5)6/h6-12,17H,4-5,13-16,18H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyIBWJAERAEAWNNL-UHFFFAOYSA-N
MW431.53 g/mol
LogP4.09
Rot. Bonds11

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

N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid (PubChem CID 18986933) has the molecular formula C24H33NO6 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
PubChem CID18986933
Molecular FormulaC24H33NO6
Molecular Weight431.53 g/mol
Exact Mass431.23
IUPAC NameN-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
SMILESCCCN(CCC)CCc1ccc(OC)c(OCc2ccccc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C22H31NO2.C2H2O4/c1-4-14-23(15-5-2)16-13-19-11-12-21(24-3)22(17-19)25-18-20-9-7-6-8-10-20;3-1(4)2(5)6/h6-12,17H,4-5,13-16,18H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyIBWJAERAEAWNNL-UHFFFAOYSA-N
XLogP4.09
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;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-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid?
The IUPAC name of N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid (CID 18986933) is N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid.
What is the SMILES notation for N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid?
The canonical SMILES for N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid is CCCN(CCC)CCc1ccc(OC)c(OCc2ccccc2)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid?
The InChIKey is IBWJAERAEAWNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2.C2H2O4/c1-4-14-23(15-5-2)16-13-19-11-12-21(24-3)22(17-19)25-18-20-9-7-6-8-10-20;3-1(4)2(5)6/h6-12,17H,4-5,13-16,18H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid?
N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid has a molecular weight of 431.53 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid is sourced from PubChem (CID 18986933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).