oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C24H31NO4 — CID 19044848

IUPACoxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2cccc(-c3ccccc3)c2C1.O=C(O)C(=O)O
InChIInChI=1S/C22H29N.C2H2O4/c1-3-15-23(16-4-2)20-14-13-19-11-8-12-21(22(19)17-20)18-9-6-5-7-10-18;3-1(4)2(5)6/h5-12,20H,3-4,13-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOLWDXZMATDLTSS-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.49
Rot. Bonds6

About oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 19044848) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Nameoxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID19044848
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Nameoxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2cccc(-c3ccccc3)c2C1.O=C(O)C(=O)O
InChIInChI=1S/C22H29N.C2H2O4/c1-3-15-23(16-4-2)20-14-13-19-11-8-12-21(22(19)17-20)18-9-6-5-7-10-18;3-1(4)2(5)6/h5-12,20H,3-4,13-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOLWDXZMATDLTSS-UHFFFAOYSA-N
XLogP4.49
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine 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 oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 19044848) is oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)C1CCc2cccc(-c3ccccc3)c2C1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is OLWDXZMATDLTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N.C2H2O4/c1-3-15-23(16-4-2)20-14-13-19-11-8-12-21(22(19)17-20)18-9-6-5-7-10-18;3-1(4)2(5)6/h5-12,20H,3-4,13-17H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 397.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 19044848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).