(2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide

C18H30N2O3 — CID 100776825

IUPAC(2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1cnc(OCC)c(C)c1
InChIInChI=1S/C18H30N2O3/c1-6-9-10-11-18(5,23-8-3)17(21)20-15-12-14(4)16(19-13-15)22-7-2/h12-13H,6-11H2,1-5H3,(H,20,21)/t18-/m0/s1
InChIKeyNYUQMGHRHOQLHY-SFHVURJKSA-N
MW322.45 g/mol
LogP4.10
Rot. Bonds10

About (2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide

(2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide (PubChem CID 100776825) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide
PubChem CID100776825
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1cnc(OCC)c(C)c1
InChIInChI=1S/C18H30N2O3/c1-6-9-10-11-18(5,23-8-3)17(21)20-15-12-14(4)16(19-13-15)22-7-2/h12-13H,6-11H2,1-5H3,(H,20,21)/t18-/m0/s1
InChIKeyNYUQMGHRHOQLHY-SFHVURJKSA-N
XLogP4.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylhexanamide
CID 133205760
(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
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778205
(2R)-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methoxy-2-methylhexanamide
CID 100774797
(2S)-2-ethoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776447
2-ethoxy-N-(6-ethoxy-3-pyridinyl)-2-methylheptanamide
CID 133205772
(2R)-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methoxy-2-methylbutanamide
CID 100774062
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762
(2R)-2-ethoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100776755
(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776618
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-cyclopropyl-2-methoxypropanamide
CID 100775841

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide?
The IUPAC name of (2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide (CID 100776825) is (2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide?
The canonical SMILES for (2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide is CCCCC[C@](C)(OCC)C(=O)Nc1cnc(OCC)c(C)c1.
What is the InChIKey of (2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide?
The InChIKey is NYUQMGHRHOQLHY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-6-9-10-11-18(5,23-8-3)17(21)20-15-12-14(4)16(19-13-15)22-7-2/h12-13H,6-11H2,1-5H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide?
(2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide has a molecular weight of 322.45 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methylheptanamide is sourced from PubChem (CID 100776825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).