N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide

C23H40N2O4 — CID 100777968

IUPACN-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
SMILESCCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cnc(OCCOCC)c(C)c1
InChIInChI=1S/C23H40N2O4/c1-8-10-29-23(14-17(3)4,15-18(5)6)22(26)25-20-13-19(7)21(24-16-20)28-12-11-27-9-2/h13,16-18H,8-12,14-15H2,1-7H3,(H,25,26)
InChIKeyXZEANRWZOMMOTH-UHFFFAOYSA-N
MW408.58 g/mol
LogP5.00
Rot. Bonds14

About N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide

N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide (PubChem CID 100777968) has the molecular formula C23H40N2O4 and a molecular weight of 408.58 g/mol. Its IUPAC name is N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
PubChem CID100777968
Molecular FormulaC23H40N2O4
Molecular Weight408.58 g/mol
Exact Mass408.30
IUPAC NameN-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
SMILESCCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cnc(OCCOCC)c(C)c1
InChIInChI=1S/C23H40N2O4/c1-8-10-29-23(14-17(3)4,15-18(5)6)22(26)25-20-13-19(7)21(24-16-20)28-12-11-27-9-2/h13,16-18H,8-12,14-15H2,1-7H3,(H,25,26)
InChIKeyXZEANRWZOMMOTH-UHFFFAOYSA-N
XLogP5.00
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.58
LogP ≤ 55.00
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-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100741200
(2R)-N-(6-methoxy-5-methyl-3-pyridinyl)-2,4-dimethyl-2-propoxypentanamide
CID 100777758
2,2,2-trichloro-N-(5-methyl-6-propoxy-3-pyridinyl)acetamide
CID 100773444
2-ethoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylpropanamide
CID 100775954
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778205
(2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide
CID 100778809
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(6-propoxy-3-pyridinyl)pentanamide
CID 100776523
(2S)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776691
ethyl 2-ethoxy-5-[[4-methyl-2-(2-methylpropyl)-2-propoxypentanoyl]amino]benzoate
CID 100765542
2-ethoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylheptanamide
CID 133205786
2-methoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylbutanamide
CID 133205549
2-ethoxy-N-(6-ethoxy-3-pyridinyl)-4-methyl-2-(2-methylpropyl)pentanamide
CID 100776520

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The IUPAC name of N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide (CID 100777968) is N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide.
What is the SMILES notation for N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The canonical SMILES for N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide is CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cnc(OCCOCC)c(C)c1.
What is the InChIKey of N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The InChIKey is XZEANRWZOMMOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O4/c1-8-10-29-23(14-17(3)4,15-18(5)6)22(26)25-20-13-19(7)21(24-16-20)28-12-11-27-9-2/h13,16-18H,8-12,14-15H2,1-7H3,(H,25,26).
What are the key properties of N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide has a molecular weight of 408.58 g/mol, XLogP of 5.00, 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)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide is sourced from PubChem (CID 100777968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).