(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide

C18H30N2O3 — CID 100776429

IUPAC(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)c(C)n1
InChIInChI=1S/C18H30N2O3/c1-6-9-13-22-16-11-10-15(14(4)19-16)20-17(21)18(5,12-7-2)23-8-3/h10-11H,6-9,12-13H2,1-5H3,(H,20,21)/t18-/m0/s1
InChIKeyTXKHTEZGBZYESD-SFHVURJKSA-N
MW322.45 g/mol
LogP4.10
Rot. Bonds10

About (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide

(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide (PubChem CID 100776429) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide
PubChem CID100776429
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)c(C)n1
InChIInChI=1S/C18H30N2O3/c1-6-9-13-22-16-11-10-15(14(4)19-16)20-17(21)18(5,12-7-2)23-8-3/h10-11H,6-9,12-13H2,1-5H3,(H,20,21)/t18-/m0/s1
InChIKeyTXKHTEZGBZYESD-SFHVURJKSA-N
XLogP4.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-2-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)heptanamide
CID 133205778
(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 100776441
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 100778049
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100776244
(2S)-2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776410
(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide
CID 100778190
2-methoxy-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 133205585
(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
CID 100777585
2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2,4-dimethylpentanamide
CID 133205697
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776618
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxypropanamide
CID 100777525

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide?
The IUPAC name of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide (CID 100776429) is (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide.
What is the SMILES notation for (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide?
The canonical SMILES for (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide is CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)c(C)n1.
What is the InChIKey of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide?
The InChIKey is TXKHTEZGBZYESD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-6-9-13-22-16-11-10-15(14(4)19-16)20-17(21)18(5,12-7-2)23-8-3/h10-11H,6-9,12-13H2,1-5H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide?
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide has a molecular weight of 322.45 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide is sourced from PubChem (CID 100776429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).