N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid

C17H25NO6 — CID 2948838

IUPACN-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid
SMILESCCOc1cccc(OCCNC2CCCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H23NO2.C2H2O4/c1-2-17-14-8-5-9-15(12-14)18-11-10-16-13-6-3-4-7-13;3-1(4)2(5)6/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyFONLSCVPGZJYBP-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.15
Rot. Bonds7

About N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid

N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid (PubChem CID 2948838) has the molecular formula C17H25NO6 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid.

Molecular Properties

Compound NameN-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid
PubChem CID2948838
Molecular FormulaC17H25NO6
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC NameN-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid
SMILESCCOc1cccc(OCCNC2CCCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H23NO2.C2H2O4/c1-2-17-14-8-5-9-15(12-14)18-11-10-16-13-6-3-4-7-13;3-1(4)2(5)6/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyFONLSCVPGZJYBP-UHFFFAOYSA-N
XLogP2.15
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;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-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid?
The IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid (CID 2948838) is N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid.
What is the SMILES notation for N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid?
The canonical SMILES for N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid is CCOc1cccc(OCCNC2CCCC2)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid?
The InChIKey is FONLSCVPGZJYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.C2H2O4/c1-2-17-14-8-5-9-15(12-14)18-11-10-16-13-6-3-4-7-13;3-1(4)2(5)6/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid?
N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid has a molecular weight of 339.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine;oxalic acid is sourced from PubChem (CID 2948838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).