N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide

C17H28N2O3 — CID 133205936

IUPACN-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C17H28N2O3/c1-5-7-8-11-17(3,22-12-6-2)16(20)19-14-9-10-15(21-4)18-13-14/h9-10,13H,5-8,11-12H2,1-4H3,(H,19,20)
InChIKeyXGEMZORLJXXOEJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.79
Rot. Bonds10

About N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide

N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide (PubChem CID 133205936) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
PubChem CID133205936
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C17H28N2O3/c1-5-7-8-11-17(3,22-12-6-2)16(20)19-14-9-10-15(21-4)18-13-14/h9-10,13H,5-8,11-12H2,1-4H3,(H,19,20)
InChIKeyXGEMZORLJXXOEJ-UHFFFAOYSA-N
XLogP3.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.79
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

N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 133205912
(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778152
2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 133205914
(2S)-2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 100778007
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide
CID 133205941
(2R)-2-ethoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100776755
(2R)-2-methoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100774890
(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 100742668
(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776618
N-(6-ethoxy-3-pyridinyl)-2-methyl-2-propoxypentanamide
CID 133205889
2-ethoxy-N-(6-ethoxy-3-pyridinyl)-2-methylheptanamide
CID 133205772
(2R)-2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)butanamide
CID 100777566

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide (CID 133205936) is N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide is CCCCCC(C)(OCCC)C(=O)Nc1ccc(OC)nc1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
The InChIKey is XGEMZORLJXXOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-7-8-11-17(3,22-12-6-2)16(20)19-14-9-10-15(21-4)18-13-14/h9-10,13H,5-8,11-12H2,1-4H3,(H,19,20).
What are the key properties of N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide has a molecular weight of 308.42 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide is sourced from PubChem (CID 133205936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).