oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine

C24H33NO5 — CID 18986909

IUPACoxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1ccccc1OCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C22H31NO.C2H2O4/c1-3-16-23(17-4-2)18-14-21-12-8-9-13-22(21)24-19-15-20-10-6-5-7-11-20;3-1(4)2(5)6/h5-13H,3-4,14-19H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGNLAKDYDPGNZJF-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.13
Rot. Bonds11

About oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine

oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine (PubChem CID 18986909) has the molecular formula C24H33NO5 and a molecular weight of 415.53 g/mol. Its IUPAC name is oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Nameoxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine
PubChem CID18986909
Molecular FormulaC24H33NO5
Molecular Weight415.53 g/mol
Exact Mass415.24
IUPAC Nameoxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1ccccc1OCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C22H31NO.C2H2O4/c1-3-16-23(17-4-2)18-14-21-12-8-9-13-22(21)24-19-15-20-10-6-5-7-11-20;3-1(4)2(5)6/h5-13H,3-4,14-19H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGNLAKDYDPGNZJF-UHFFFAOYSA-N
XLogP4.13
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine?
The IUPAC name of oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine (CID 18986909) is oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine?
The canonical SMILES for oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCc1ccccc1OCCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine?
The InChIKey is GNLAKDYDPGNZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO.C2H2O4/c1-3-16-23(17-4-2)18-14-21-12-8-9-13-22(21)24-19-15-20-10-6-5-7-11-20;3-1(4)2(5)6/h5-13H,3-4,14-19H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine?
oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine has a molecular weight of 415.53 g/mol, XLogP of 4.13, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 18986909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).