(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide

C20H34N2O3 — CID 100778049

IUPAC(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)c(C)n1
InChIInChI=1S/C20H34N2O3/c1-6-9-13-20(5,25-14-8-3)19(23)22-17-11-12-18(21-16(17)4)24-15-10-7-2/h11-12H,6-10,13-15H2,1-5H3,(H,22,23)/t20-/m0/s1
InChIKeyZILAPBAUGLZOJJ-FQEVSTJZSA-N
MW350.50 g/mol
LogP4.88
Rot. Bonds12

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

(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide (PubChem CID 100778049) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide.

Molecular Properties

Compound Name(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide
PubChem CID100778049
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)c(C)n1
InChIInChI=1S/C20H34N2O3/c1-6-9-13-20(5,25-14-8-3)19(23)22-17-11-12-18(21-16(17)4)24-15-10-7-2/h11-12H,6-10,13-15H2,1-5H3,(H,22,23)/t20-/m0/s1
InChIKeyZILAPBAUGLZOJJ-FQEVSTJZSA-N
XLogP4.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.88
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

(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide
CID 100778190
2-ethoxy-2-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)heptanamide
CID 133205778
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide
CID 100776429
(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
CID 100777585
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100776244
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxypropanamide
CID 100777525
(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 100776441
2-methoxy-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 133205585
(2S)-2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 100778007
2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 133205914
(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778152
(2S)-2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776410

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide?
The IUPAC name of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide (CID 100778049) is (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide.
What is the SMILES notation for (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide?
The canonical SMILES for (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide is CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)c(C)n1.
What is the InChIKey of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide?
The InChIKey is ZILAPBAUGLZOJJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-6-9-13-20(5,25-14-8-3)19(23)22-17-11-12-18(21-16(17)4)24-15-10-7-2/h11-12H,6-10,13-15H2,1-5H3,(H,22,23)/t20-/m0/s1.
What are the key properties of (2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide?
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide has a molecular weight of 350.50 g/mol, XLogP of 4.88, 12 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-methyl-2-propoxyhexanamide is sourced from PubChem (CID 100778049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).