(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide

C19H32N2O3 — CID 100776244

IUPAC(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c(C)n1
InChIInChI=1S/C19H32N2O3/c1-7-9-12-23-17-11-10-16(15(5)20-17)21-18(22)19(6,24-8-2)13-14(3)4/h10-11,14H,7-9,12-13H2,1-6H3,(H,21,22)/t19-/m0/s1
InChIKeyCGBIXYLUWTWYTR-IBGZPJMESA-N
MW336.48 g/mol
LogP4.35
Rot. Bonds10

About (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide

(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide (PubChem CID 100776244) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide
PubChem CID100776244
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c(C)n1
InChIInChI=1S/C19H32N2O3/c1-7-9-12-23-17-11-10-16(15(5)20-17)21-18(22)19(6,24-8-2)13-14(3)4/h10-11,14H,7-9,12-13H2,1-6H3,(H,21,22)/t19-/m0/s1
InChIKeyCGBIXYLUWTWYTR-IBGZPJMESA-N
XLogP4.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.35
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-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2,4-dimethylpentanamide
CID 133205697
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide
CID 100776429
2-ethoxy-2-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)heptanamide
CID 133205778
2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide
CID 100776545
(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)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 100776441
(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide
CID 100778190
(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
CID 100777585
(2S)-2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776410
N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100774620
2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-2-(2-methylpropyl)pentanamide
CID 100776537

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide?
The IUPAC name of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide (CID 100776244) is (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide?
The canonical SMILES for (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide is CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c(C)n1.
What is the InChIKey of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide?
The InChIKey is CGBIXYLUWTWYTR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N2O3/c1-7-9-12-23-17-11-10-16(15(5)20-17)21-18(22)19(6,24-8-2)13-14(3)4/h10-11,14H,7-9,12-13H2,1-6H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide?
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide has a molecular weight of 336.48 g/mol, XLogP of 4.35, 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-2,4-dimethylpentanamide is sourced from PubChem (CID 100776244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).