2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide

C22H32N2O3 — CID 133205790

IUPAC2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
SMILESCCCCCC(C)(OCC)C(=O)Nc1ccc(OCCC)c2ncccc12
InChIInChI=1S/C22H32N2O3/c1-5-8-9-14-22(4,27-7-3)21(25)24-18-12-13-19(26-16-6-2)20-17(18)11-10-15-23-20/h10-13,15H,5-9,14,16H2,1-4H3,(H,24,25)
InChIKeyRLCTWUXFOZCMPW-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.34
Rot. Bonds11

About 2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide

2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide (PubChem CID 133205790) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
PubChem CID133205790
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
SMILESCCCCCC(C)(OCC)C(=O)Nc1ccc(OCCC)c2ncccc12
InChIInChI=1S/C22H32N2O3/c1-5-8-9-14-22(4,27-7-3)21(25)24-18-12-13-19(26-16-6-2)20-17(18)11-10-15-23-20/h10-13,15H,5-9,14,16H2,1-4H3,(H,24,25)
InChIKeyRLCTWUXFOZCMPW-UHFFFAOYSA-N
XLogP5.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 100777802
N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 133205883
(2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 100777796

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide?
The IUPAC name of 2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide (CID 133205790) is 2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide.
What is the SMILES notation for 2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide?
The canonical SMILES for 2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide is CCCCCC(C)(OCC)C(=O)Nc1ccc(OCCC)c2ncccc12.
What is the InChIKey of 2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide?
The InChIKey is RLCTWUXFOZCMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-5-8-9-14-22(4,27-7-3)21(25)24-18-12-13-19(26-16-6-2)20-17(18)11-10-15-23-20/h10-13,15H,5-9,14,16H2,1-4H3,(H,24,25).
What are the key properties of 2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide?
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide has a molecular weight of 372.51 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide is sourced from PubChem (CID 133205790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).