N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide

C20H34N2O4 — CID 133205941

IUPACN-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1
InChIInChI=1S/C20H34N2O4/c1-5-8-9-12-20(4,26-13-6-2)19(23)22-17-10-11-18(21-16-17)25-15-14-24-7-3/h10-11,16H,5-9,12-15H2,1-4H3,(H,22,23)
InChIKeyIBXVBAVKYOIEAZ-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.20
Rot. Bonds14

About N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide

N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide (PubChem CID 133205941) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide
PubChem CID133205941
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC NameN-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1
InChIInChI=1S/C20H34N2O4/c1-5-8-9-12-20(4,26-13-6-2)19(23)22-17-10-11-18(21-16-17)25-15-14-24-7-3/h10-11,16H,5-9,12-15H2,1-4H3,(H,22,23)
InChIKeyIBXVBAVKYOIEAZ-UHFFFAOYSA-N
XLogP4.20
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.20
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

(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778152
(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)-2-ethoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100776755
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 133205936
(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776618
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 133205912
N-(6-ethoxy-3-pyridinyl)-2-methyl-2-propoxypentanamide
CID 133205889
2-ethoxy-N-(6-ethoxy-3-pyridinyl)-2-methylheptanamide
CID 133205772
(2R)-2-methoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100774890
(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide
CID 100778190
(2R)-2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)butanamide
CID 100777566

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide?
The IUPAC name of N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide (CID 133205941) is N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide.
What is the SMILES notation for N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide?
The canonical SMILES for N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide is CCCCCC(C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1.
What is the InChIKey of N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide?
The InChIKey is IBXVBAVKYOIEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-5-8-9-12-20(4,26-13-6-2)19(23)22-17-10-11-18(21-16-17)25-15-14-24-7-3/h10-11,16H,5-9,12-15H2,1-4H3,(H,22,23).
What are the key properties of N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide?
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide has a molecular weight of 366.50 g/mol, XLogP of 4.20, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide is sourced from PubChem (CID 133205941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).