(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide

C20H34N2O3 — CID 100778152

IUPAC(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)nc1
InChIInChI=1S/C20H34N2O3/c1-5-8-10-13-20(4,25-14-7-3)19(23)22-17-11-12-18(21-16-17)24-15-9-6-2/h11-12,16H,5-10,13-15H2,1-4H3,(H,22,23)/t20-/m1/s1
InChIKeyIJPGPZNUHHHVBQ-HXUWFJFHSA-N
MW350.50 g/mol
LogP4.96
Rot. Bonds13

About (2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide

(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide (PubChem CID 100778152) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is (2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide.

Molecular Properties

Compound Name(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
PubChem CID100778152
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)nc1
InChIInChI=1S/C20H34N2O3/c1-5-8-10-13-20(4,25-14-7-3)19(23)22-17-11-12-18(21-16-17)24-15-9-6-2/h11-12,16H,5-10,13-15H2,1-4H3,(H,22,23)/t20-/m1/s1
InChIKeyIJPGPZNUHHHVBQ-HXUWFJFHSA-N
XLogP4.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.96
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

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
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 133205936
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 133205912
(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776618
(2R)-2-methoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100774890
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
(2R)-2-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylhexanamide
CID 100774730

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
The IUPAC name of (2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide (CID 100778152) is (2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide.
What is the SMILES notation for (2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
The canonical SMILES for (2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide is CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)nc1.
What is the InChIKey of (2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
The InChIKey is IJPGPZNUHHHVBQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-5-8-10-13-20(4,25-14-7-3)19(23)22-17-11-12-18(21-16-17)24-15-9-6-2/h11-12,16H,5-10,13-15H2,1-4H3,(H,22,23)/t20-/m1/s1.
What are the key properties of (2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide has a molecular weight of 350.50 g/mol, XLogP of 4.96, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide is sourced from PubChem (CID 100778152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).