N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid

C20H26N2O5S — CID 3063108

IUPACN-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid
SMILESCCC(=O)N(CC(C)N(C)Cc1ccccc1)c1cccs1.O=C(O)C(=O)O
InChIInChI=1S/C18H24N2OS.C2H2O4/c1-4-17(21)20(18-11-8-12-22-18)13-15(2)19(3)14-16-9-6-5-7-10-16;3-1(4)2(5)6/h5-12,15H,4,13-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyGVFRTDFSEZFLRX-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.17
Rot. Bonds7

About N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid

N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid (PubChem CID 3063108) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid
PubChem CID3063108
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid
SMILESCCC(=O)N(CC(C)N(C)Cc1ccccc1)c1cccs1.O=C(O)C(=O)O
InChIInChI=1S/C18H24N2OS.C2H2O4/c1-4-17(21)20(18-11-8-12-22-18)13-15(2)19(3)14-16-9-6-5-7-10-16;3-1(4)2(5)6/h5-12,15H,4,13-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyGVFRTDFSEZFLRX-UHFFFAOYSA-N
XLogP3.17
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid?
The IUPAC name of N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid (CID 3063108) is N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid?
The canonical SMILES for N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid is CCC(=O)N(CC(C)N(C)Cc1ccccc1)c1cccs1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid?
The InChIKey is GVFRTDFSEZFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS.C2H2O4/c1-4-17(21)20(18-11-8-12-22-18)13-15(2)19(3)14-16-9-6-5-7-10-16;3-1(4)2(5)6/h5-12,15H,4,13-14H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid?
N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid has a molecular weight of 406.50 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;oxalic acid is sourced from PubChem (CID 3063108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).