N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid

C21H23NO5S — CID 19830125

IUPACN,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid
SMILESCN(C)CCC(Oc1cccc2ccccc12)c1ccsc1.O=C(O)C(=O)O
InChIInChI=1S/C19H21NOS.C2H2O4/c1-20(2)12-10-18(16-11-13-22-14-16)21-19-9-5-7-15-6-3-4-8-17(15)19;3-1(4)2(5)6/h3-9,11,13-14,18H,10,12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyNGBZDOTXQWKUDT-UHFFFAOYSA-N
MW401.48 g/mol
LogP4.13
Rot. Bonds6

About N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid

N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid (PubChem CID 19830125) has the molecular formula C21H23NO5S and a molecular weight of 401.48 g/mol. Its IUPAC name is N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid
PubChem CID19830125
Molecular FormulaC21H23NO5S
Molecular Weight401.48 g/mol
Exact Mass401.13
IUPAC NameN,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid
SMILESCN(C)CCC(Oc1cccc2ccccc12)c1ccsc1.O=C(O)C(=O)O
InChIInChI=1S/C19H21NOS.C2H2O4/c1-20(2)12-10-18(16-11-13-22-14-16)21-19-9-5-7-15-6-3-4-8-17(15)19;3-1(4)2(5)6/h3-9,11,13-14,18H,10,12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyNGBZDOTXQWKUDT-UHFFFAOYSA-N
XLogP4.13
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-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,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid?
The IUPAC name of N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid (CID 19830125) is N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid?
The canonical SMILES for N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid is CN(C)CCC(Oc1cccc2ccccc12)c1ccsc1.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid?
The InChIKey is NGBZDOTXQWKUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS.C2H2O4/c1-20(2)12-10-18(16-11-13-22-14-16)21-19-9-5-7-15-6-3-4-8-17(15)19;3-1(4)2(5)6/h3-9,11,13-14,18H,10,12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid?
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid has a molecular weight of 401.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid is sourced from PubChem (CID 19830125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).