N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide

C25H31N3O3 — CID 3244562

IUPACN-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCN(CCCNC(=O)COc1cc(=O)n(CC)c2ccccc12)Cc1ccccc1
InChIInChI=1S/C25H31N3O3/c1-3-27(18-20-11-6-5-7-12-20)16-10-15-26-24(29)19-31-23-17-25(30)28(4-2)22-14-9-8-13-21(22)23/h5-9,11-14,17H,3-4,10,15-16,18-19H2,1-2H3,(H,26,29)
InChIKeyJGXCMIJLNVGIFM-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.43
Rot. Bonds11

About N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide

N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 3244562) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID3244562
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCN(CCCNC(=O)COc1cc(=O)n(CC)c2ccccc12)Cc1ccccc1
InChIInChI=1S/C25H31N3O3/c1-3-27(18-20-11-6-5-7-12-20)16-10-15-26-24(29)19-31-23-17-25(30)28(4-2)22-14-9-8-13-21(22)23/h5-9,11-14,17H,3-4,10,15-16,18-19H2,1-2H3,(H,26,29)
InChIKeyJGXCMIJLNVGIFM-UHFFFAOYSA-N
XLogP3.43
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide (CID 3244562) is N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide is CCN(CCCNC(=O)COc1cc(=O)n(CC)c2ccccc12)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is JGXCMIJLNVGIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-3-27(18-20-11-6-5-7-12-20)16-10-15-26-24(29)19-31-23-17-25(30)28(4-2)22-14-9-8-13-21(22)23/h5-9,11-14,17H,3-4,10,15-16,18-19H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 421.54 g/mol, XLogP of 3.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(ethyl)amino]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 3244562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).