N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide

C23H27N3O3 — CID 3240679

IUPACN-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H27N3O3/c1-3-26(18-10-5-4-6-11-18)15-9-14-24-22(27)17-29-21-16-23(28)25(2)20-13-8-7-12-19(20)21/h4-8,10-13,16H,3,9,14-15,17H2,1-2H3,(H,24,27)
InChIKeyVEPZAIOOSCHCPJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.95
Rot. Bonds9

About N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide

N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 3240679) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID3240679
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H27N3O3/c1-3-26(18-10-5-4-6-11-18)15-9-14-24-22(27)17-29-21-16-23(28)25(2)20-13-8-7-12-19(20)21/h4-8,10-13,16H,3,9,14-15,17H2,1-2H3,(H,24,27)
InChIKeyVEPZAIOOSCHCPJ-UHFFFAOYSA-N
XLogP2.95
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.95
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-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (CID 3240679) is N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is CCN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is VEPZAIOOSCHCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-26(18-10-5-4-6-11-18)15-9-14-24-22(27)17-29-21-16-23(28)25(2)20-13-8-7-12-19(20)21/h4-8,10-13,16H,3,9,14-15,17H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 393.49 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 3240679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).