(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide

C21H36N2O3 — CID 100778205

IUPAC(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCCCC)c(C)c1
InChIInChI=1S/C21H36N2O3/c1-6-9-11-12-21(5,26-13-8-3)20(24)23-18-15-17(4)19(22-16-18)25-14-10-7-2/h15-16H,6-14H2,1-5H3,(H,23,24)/t21-/m1/s1
InChIKeyUTDOCKVCSJOVRI-OAQYLSRUSA-N
MW364.53 g/mol
LogP5.27
Rot. Bonds13

About (2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide

(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide (PubChem CID 100778205) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is (2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide.

Molecular Properties

Compound Name(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide
PubChem CID100778205
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCCCC)c(C)c1
InChIInChI=1S/C21H36N2O3/c1-6-9-11-12-21(5,26-13-8-3)20(24)23-18-15-17(4)19(22-16-18)25-14-10-7-2/h15-16H,6-14H2,1-5H3,(H,23,24)/t21-/m1/s1
InChIKeyUTDOCKVCSJOVRI-OAQYLSRUSA-N
XLogP5.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.27
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

(2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776691
2-ethoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylheptanamide
CID 133205786
(2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide
CID 100776825
2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylhexanamide
CID 133205760
(2R)-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methoxy-2-methylhexanamide
CID 100774797
(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778152
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 133205936
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712023
(2R)-N-(6-methoxy-5-methyl-3-pyridinyl)-2,4-dimethyl-2-propoxypentanamide
CID 100777758
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide
CID 100773444
(2S)-2-ethoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776447

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
The IUPAC name of (2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide (CID 100778205) is (2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide.
What is the SMILES notation for (2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
The canonical SMILES for (2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide is CCCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCCCC)c(C)c1.
What is the InChIKey of (2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
The InChIKey is UTDOCKVCSJOVRI-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-6-9-11-12-21(5,26-13-8-3)20(24)23-18-15-17(4)19(22-16-18)25-14-10-7-2/h15-16H,6-14H2,1-5H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide?
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide has a molecular weight of 364.53 g/mol, XLogP of 5.27, 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-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide is sourced from PubChem (CID 100778205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).