N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide

C21H36N2O4 — CID 100774620

IUPACN-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCCOCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C)n1
InChIInChI=1S/C21H36N2O4/c1-8-26-11-12-27-19-10-9-18(17(6)22-19)23-20(24)21(25-7,13-15(2)3)14-16(4)5/h9-10,15-16H,8,11-14H2,1-7H3,(H,23,24)
InChIKeyQQBHGUXSBABTDU-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.22
Rot. Bonds12

About N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide

N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide (PubChem CID 100774620) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
PubChem CID100774620
Molecular FormulaC21H36N2O4
Molecular Weight380.53 g/mol
Exact Mass380.27
IUPAC NameN-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCCOCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C)n1
InChIInChI=1S/C21H36N2O4/c1-8-26-11-12-27-19-10-9-18(17(6)22-19)23-20(24)21(25-7,13-15(2)3)14-16(4)5/h9-10,15-16H,8,11-14H2,1-7H3,(H,23,24)
InChIKeyQQBHGUXSBABTDU-UHFFFAOYSA-N
XLogP4.22
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-2,4-dimethylpentanamide
CID 133205516
2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2,4-dimethylpentanamide
CID 133205697
2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide
CID 100776545
2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-2-(2-methylpropyl)pentanamide
CID 100776537
(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
(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide
CID 100778190
2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide
CID 100773295
2-methoxy-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 133205585
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

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The IUPAC name of N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide (CID 100774620) is N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The canonical SMILES for N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide is CCOCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C)n1.
What is the InChIKey of N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The InChIKey is QQBHGUXSBABTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O4/c1-8-26-11-12-27-19-10-9-18(17(6)22-19)23-20(24)21(25-7,13-15(2)3)14-16(4)5/h9-10,15-16H,8,11-14H2,1-7H3,(H,23,24).
What are the key properties of N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide has a molecular weight of 380.53 g/mol, XLogP of 4.22, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 100774620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).