(2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide

C21H30N2O3 — CID 100777796

IUPAC(2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
SMILESCCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ncccc12
InChIInChI=1S/C21H30N2O3/c1-6-13-26-21(5,14-15(3)4)20(24)23-17-10-11-18(25-7-2)19-16(17)9-8-12-22-19/h8-12,15H,6-7,13-14H2,1-5H3,(H,23,24)/t21-/m0/s1
InChIKeyJVRUCLQLUIDHEC-NRFANRHFSA-N
MW358.48 g/mol
LogP4.80
Rot. Bonds9

About (2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide

(2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide (PubChem CID 100777796) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide.

Molecular Properties

Compound Name(2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
PubChem CID100777796
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
SMILESCCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ncccc12
InChIInChI=1S/C21H30N2O3/c1-6-13-26-21(5,14-15(3)4)20(24)23-17-10-11-18(25-7-2)19-16(17)9-8-12-22-19/h8-12,15H,6-7,13-14H2,1-5H3,(H,23,24)/t21-/m0/s1
InChIKeyJVRUCLQLUIDHEC-NRFANRHFSA-N
XLogP4.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 133205883
(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 100777802
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 100774530
N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100777985
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
2-methoxy-2,4-dimethyl-N-(8-propan-2-yloxyquinolin-5-yl)pentanamide
CID 133205573
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide?
The IUPAC name of (2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide (CID 100777796) is (2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide.
What is the SMILES notation for (2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide?
The canonical SMILES for (2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide is CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ncccc12.
What is the InChIKey of (2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide?
The InChIKey is JVRUCLQLUIDHEC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-6-13-26-21(5,14-15(3)4)20(24)23-17-10-11-18(25-7-2)19-16(17)9-8-12-22-19/h8-12,15H,6-7,13-14H2,1-5H3,(H,23,24)/t21-/m0/s1.
What are the key properties of (2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide?
(2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide has a molecular weight of 358.48 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide is sourced from PubChem (CID 100777796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).