(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide

C16H26N2O3 — CID 100777585

IUPAC(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)nc1C
InChIInChI=1S/C16H26N2O3/c1-6-11-21-16(5,7-2)15(19)18-13-9-10-14(20-8-3)17-12(13)4/h9-10H,6-8,11H2,1-5H3,(H,18,19)/t16-/m0/s1
InChIKeyLLGZEAIBYSZMBM-INIZCTEOSA-N
MW294.40 g/mol
LogP3.32
Rot. Bonds8

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

(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide (PubChem CID 100777585) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide.

Molecular Properties

Compound Name(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
PubChem CID100777585
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)nc1C
InChIInChI=1S/C16H26N2O3/c1-6-11-21-16(5,7-2)15(19)18-13-9-10-14(20-8-3)17-12(13)4/h9-10H,6-8,11H2,1-5H3,(H,18,19)/t16-/m0/s1
InChIKeyLLGZEAIBYSZMBM-INIZCTEOSA-N
XLogP3.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 100778049
(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
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxypropanamide
CID 100777525
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide
CID 100776429
(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 100776441
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100776244
2-methoxy-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 133205585
(2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide
CID 100777431
(2S)-2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776410
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
CID 133204053
2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide
CID 100776545

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide?
The IUPAC name of (2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide (CID 100777585) is (2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide.
What is the SMILES notation for (2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide?
The canonical SMILES for (2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide is CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)nc1C.
What is the InChIKey of (2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide?
The InChIKey is LLGZEAIBYSZMBM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-11-21-16(5,7-2)15(19)18-13-9-10-14(20-8-3)17-12(13)4/h9-10H,6-8,11H2,1-5H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide?
(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide has a molecular weight of 294.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide is sourced from PubChem (CID 100777585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).