(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide

C18H24N2O3 — CID 100774530

IUPAC(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
SMILESCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c2ncccc12
InChIInChI=1S/C18H24N2O3/c1-5-11-18(3,22-4)17(21)20-14-9-10-15(23-6-2)16-13(14)8-7-12-19-16/h7-10,12H,5-6,11H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyPYXCBWQERCXRFQ-GOSISDBHSA-N
MW316.40 g/mol
LogP3.78
Rot. Bonds7

About (2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide

(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide (PubChem CID 100774530) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
PubChem CID100774530
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
SMILESCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c2ncccc12
InChIInChI=1S/C18H24N2O3/c1-5-11-18(3,22-4)17(21)20-14-9-10-15(23-6-2)16-13(14)8-7-12-19-16/h7-10,12H,5-6,11H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyPYXCBWQERCXRFQ-GOSISDBHSA-N
XLogP3.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
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
(2R)-2-methoxy-2-methyl-N-(8-propan-2-yloxyquinolin-5-yl)hexanamide
CID 100774849
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylbutanamide
CID 100776127
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide?
The IUPAC name of (2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide (CID 100774530) is (2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide.
What is the SMILES notation for (2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide?
The canonical SMILES for (2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide is CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c2ncccc12.
What is the InChIKey of (2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide?
The InChIKey is PYXCBWQERCXRFQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-11-18(3,22-4)17(21)20-14-9-10-15(23-6-2)16-13(14)8-7-12-19-16/h7-10,12H,5-6,11H2,1-4H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide?
(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide has a molecular weight of 316.40 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide is sourced from PubChem (CID 100774530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).