N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide

C34H42N2O3 — CID 166437382

IUPACN,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide
SMILESO=C1CCc2ccc(OCCCCCCCCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2N1
InChIInChI=1S/C34H42N2O3/c37-33-23-21-30-20-22-31(25-32(30)35-33)39-24-14-6-4-2-1-3-5-13-19-34(38)36(26-28-15-9-7-10-16-28)27-29-17-11-8-12-18-29/h7-12,15-18,20,22,25H,1-6,13-14,19,21,23-24,26-27H2,(H,35,37)
InChIKeyRETNZBDMFGVZRS-UHFFFAOYSA-N
MW526.72 g/mol
LogP7.69
Rot. Bonds16

About N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide

N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide (PubChem CID 166437382) has the molecular formula C34H42N2O3 and a molecular weight of 526.72 g/mol. Its IUPAC name is N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide.

Molecular Properties

Compound NameN,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide
PubChem CID166437382
Molecular FormulaC34H42N2O3
Molecular Weight526.72 g/mol
Exact Mass526.32
IUPAC NameN,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide
SMILESO=C1CCc2ccc(OCCCCCCCCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2N1
InChIInChI=1S/C34H42N2O3/c37-33-23-21-30-20-22-31(25-32(30)35-33)39-24-14-6-4-2-1-3-5-13-19-34(38)36(26-28-15-9-7-10-16-28)27-29-17-11-8-12-18-29/h7-12,15-18,20,22,25H,1-6,13-14,19,21,23-24,26-27H2,(H,35,37)
InChIKeyRETNZBDMFGVZRS-UHFFFAOYSA-N
XLogP7.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.72
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide?
The IUPAC name of N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide (CID 166437382) is N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide.
What is the SMILES notation for N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide?
The canonical SMILES for N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide is O=C1CCc2ccc(OCCCCCCCCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2N1.
What is the InChIKey of N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide?
The InChIKey is RETNZBDMFGVZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2O3/c37-33-23-21-30-20-22-31(25-32(30)35-33)39-24-14-6-4-2-1-3-5-13-19-34(38)36(26-28-15-9-7-10-16-28)27-29-17-11-8-12-18-29/h7-12,15-18,20,22,25H,1-6,13-14,19,21,23-24,26-27H2,(H,35,37).
What are the key properties of N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide?
N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide has a molecular weight of 526.72 g/mol, XLogP of 7.69, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide is sourced from PubChem (CID 166437382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).