2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide

C21H36N2O3 — CID 100776545

IUPAC2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide
SMILESCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c(C)n1
InChIInChI=1S/C21H36N2O3/c1-8-12-25-19-11-10-18(17(7)22-19)23-20(24)21(26-9-2,13-15(3)4)14-16(5)6/h10-11,15-16H,8-9,12-14H2,1-7H3,(H,23,24)
InChIKeyBDKMBSJQYVIZBN-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.98
Rot. Bonds11

About 2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide

2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide (PubChem CID 100776545) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide
PubChem CID100776545
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide
SMILESCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c(C)n1
InChIInChI=1S/C21H36N2O3/c1-8-12-25-19-11-10-18(17(7)22-19)23-20(24)21(26-9-2,13-15(3)4)14-16(5)6/h10-11,15-16H,8-9,12-14H2,1-7H3,(H,23,24)
InChIKeyBDKMBSJQYVIZBN-UHFFFAOYSA-N
XLogP4.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-2-(2-methylpropyl)pentanamide
CID 100776537
N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100774620
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100776244
2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2,4-dimethylpentanamide
CID 133205697
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(6-propoxy-3-pyridinyl)pentanamide
CID 100776523
2-ethoxy-2-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)heptanamide
CID 133205778
N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-2,4-dimethylpentanamide
CID 133205516
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)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
CID 100777585
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 100778049
(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 100776441

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide?
The IUPAC name of 2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide (CID 100776545) is 2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide.
What is the SMILES notation for 2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide?
The canonical SMILES for 2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide is CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c(C)n1.
What is the InChIKey of 2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide?
The InChIKey is BDKMBSJQYVIZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-8-12-25-19-11-10-18(17(7)22-19)23-20(24)21(26-9-2,13-15(3)4)14-16(5)6/h10-11,15-16H,8-9,12-14H2,1-7H3,(H,23,24).
What are the key properties of 2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide?
2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide has a molecular weight of 364.53 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 100776545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).