(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide

C18H30N2O4 — CID 100776441

IUPAC(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
SMILESCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)nc1C
InChIInChI=1S/C18H30N2O4/c1-6-11-18(5,24-8-3)17(21)20-15-9-10-16(19-14(15)4)23-13-12-22-7-2/h9-10H,6-8,11-13H2,1-5H3,(H,20,21)/t18-/m0/s1
InChIKeyOCWIIEQKAUYKCC-SFHVURJKSA-N
MW338.45 g/mol
LogP3.34
Rot. Bonds11

About (2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide

(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide (PubChem CID 100776441) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
PubChem CID100776441
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
SMILESCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)nc1C
InChIInChI=1S/C18H30N2O4/c1-6-11-18(5,24-8-3)17(21)20-15-9-10-16(19-14(15)4)23-13-12-22-7-2/h9-10H,6-8,11-13H2,1-5H3,(H,20,21)/t18-/m0/s1
InChIKeyOCWIIEQKAUYKCC-SFHVURJKSA-N
XLogP3.34
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide
CID 100776429
(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide
CID 100778190
2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2,4-dimethylpentanamide
CID 133205697
(2S)-2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776410
2-ethoxy-2-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)heptanamide
CID 133205778
2-methoxy-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 133205585
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 100778049
N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-2,4-dimethylpentanamide
CID 133205516
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100776244
(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
CID 100777585
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxypropanamide
CID 100777525
N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100774620

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide?
The IUPAC name of (2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide (CID 100776441) is (2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide is CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)nc1C.
What is the InChIKey of (2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide?
The InChIKey is OCWIIEQKAUYKCC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-6-11-18(5,24-8-3)17(21)20-15-9-10-16(19-14(15)4)23-13-12-22-7-2/h9-10H,6-8,11-13H2,1-5H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide?
(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide has a molecular weight of 338.45 g/mol, XLogP of 3.34, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide is sourced from PubChem (CID 100776441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).