(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide

C20H28N2O3 — CID 100776850

IUPAC(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
SMILESCCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c2ncccc12
InChIInChI=1S/C20H28N2O3/c1-5-7-8-13-20(3,25-6-2)19(23)22-16-11-12-17(24-4)18-15(16)10-9-14-21-18/h9-12,14H,5-8,13H2,1-4H3,(H,22,23)/t20-/m1/s1
InChIKeyRKBNCYAEASTATR-HXUWFJFHSA-N
MW344.46 g/mol
LogP4.56
Rot. Bonds9

About (2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide

(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide (PubChem CID 100776850) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
PubChem CID100776850
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
SMILESCCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c2ncccc12
InChIInChI=1S/C20H28N2O3/c1-5-7-8-13-20(3,25-6-2)19(23)22-16-11-12-17(24-4)18-15(16)10-9-14-21-18/h9-12,14H,5-8,13H2,1-4H3,(H,22,23)/t20-/m1/s1
InChIKeyRKBNCYAEASTATR-HXUWFJFHSA-N
XLogP4.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.56
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

2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
(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-methylbutanamide
CID 100776127
(2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide
CID 100761479
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
(2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide
CID 100777479
(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 100774530
(2R)-2-methoxy-2-methyl-N-(8-propan-2-yloxyquinolin-5-yl)hexanamide
CID 100774849
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide?
The IUPAC name of (2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide (CID 100776850) is (2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide?
The canonical SMILES for (2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide is CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c2ncccc12.
What is the InChIKey of (2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide?
The InChIKey is RKBNCYAEASTATR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-7-8-13-20(3,25-6-2)19(23)22-16-11-12-17(24-4)18-15(16)10-9-14-21-18/h9-12,14H,5-8,13H2,1-4H3,(H,22,23)/t20-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide?
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide has a molecular weight of 344.46 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide is sourced from PubChem (CID 100776850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).