(2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide

C19H32N2O3 — CID 100776691

IUPAC(2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide
SMILESCCCCOc1ncc(NC(=O)[C@](C)(CCCC)OCC)cc1C
InChIInChI=1S/C19H32N2O3/c1-6-9-11-19(5,24-8-3)18(22)21-16-13-15(4)17(20-14-16)23-12-10-7-2/h13-14H,6-12H2,1-5H3,(H,21,22)/t19-/m0/s1
InChIKeyODMSPCRVDXJCKB-IBGZPJMESA-N
MW336.48 g/mol
LogP4.49
Rot. Bonds11

About (2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide

(2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide (PubChem CID 100776691) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide.

Molecular Properties

Compound Name(2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide
PubChem CID100776691
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide
SMILESCCCCOc1ncc(NC(=O)[C@](C)(CCCC)OCC)cc1C
InChIInChI=1S/C19H32N2O3/c1-6-9-11-19(5,24-8-3)18(22)21-16-13-15(4)17(20-14-16)23-12-10-7-2/h13-14H,6-12H2,1-5H3,(H,21,22)/t19-/m0/s1
InChIKeyODMSPCRVDXJCKB-IBGZPJMESA-N
XLogP4.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.49
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-ethoxy-5-methyl-3-pyridinyl)-2-methylhexanamide
CID 133205760
2-ethoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylheptanamide
CID 133205786
(2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide
CID 100776825
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778205
(2R)-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methoxy-2-methylhexanamide
CID 100774797
(2S)-2-ethoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776447
2-ethoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylpropanamide
CID 100775954
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-cyclopropyl-2-methoxypropanamide
CID 100775841
(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776618
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762
2-methoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylbutanamide
CID 133205549
N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 133246537

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide?
The IUPAC name of (2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide (CID 100776691) is (2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide.
What is the SMILES notation for (2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide?
The canonical SMILES for (2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide is CCCCOc1ncc(NC(=O)[C@](C)(CCCC)OCC)cc1C.
What is the InChIKey of (2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide?
The InChIKey is ODMSPCRVDXJCKB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N2O3/c1-6-9-11-19(5,24-8-3)18(22)21-16-13-15(4)17(20-14-16)23-12-10-7-2/h13-14H,6-12H2,1-5H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide?
(2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide has a molecular weight of 336.48 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide is sourced from PubChem (CID 100776691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).