5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide

C17H28N2O5 — CID 142289008

IUPAC5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(CCCOCCOCCN)cc(OC)c1OC
InChIInChI=1S/C17H28N2O5/c1-19-17(20)14-11-13(12-15(21-2)16(14)22-3)5-4-7-23-9-10-24-8-6-18/h11-12H,4-10,18H2,1-3H3,(H,19,20)
InChIKeyGVZDERMHQFOKRX-UHFFFAOYSA-N
MW340.42 g/mol
LogP0.99
Rot. Bonds12

About 5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide

5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide (PubChem CID 142289008) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is 5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide
PubChem CID142289008
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Name5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(CCCOCCOCCN)cc(OC)c1OC
InChIInChI=1S/C17H28N2O5/c1-19-17(20)14-11-13(12-15(21-2)16(14)22-3)5-4-7-23-9-10-24-8-6-18/h11-12H,4-10,18H2,1-3H3,(H,19,20)
InChIKeyGVZDERMHQFOKRX-UHFFFAOYSA-N
XLogP0.99
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide?
The IUPAC name of 5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide (CID 142289008) is 5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide?
The canonical SMILES for 5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide is CNC(=O)c1cc(CCCOCCOCCN)cc(OC)c1OC.
What is the InChIKey of 5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide?
The InChIKey is GVZDERMHQFOKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-19-17(20)14-11-13(12-15(21-2)16(14)22-3)5-4-7-23-9-10-24-8-6-18/h11-12H,4-10,18H2,1-3H3,(H,19,20).
What are the key properties of 5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide?
5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 0.99, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2,3-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 142289008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).