(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide

C18H30N2O3 — CID 100776618

IUPAC(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)cn1
InChIInChI=1S/C18H30N2O3/c1-5-8-12-18(4,23-7-3)17(21)20-15-10-11-16(19-14-15)22-13-9-6-2/h10-11,14H,5-9,12-13H2,1-4H3,(H,20,21)/t18-/m0/s1
InChIKeyOSSFXJCSCLQQQC-SFHVURJKSA-N
MW322.45 g/mol
LogP4.18
Rot. Bonds11

About (2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide

(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide (PubChem CID 100776618) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide.

Molecular Properties

Compound Name(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
PubChem CID100776618
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)cn1
InChIInChI=1S/C18H30N2O3/c1-5-8-12-18(4,23-7-3)17(21)20-15-10-11-16(19-14-15)22-13-9-6-2/h10-11,14H,5-9,12-13H2,1-4H3,(H,20,21)/t18-/m0/s1
InChIKeyOSSFXJCSCLQQQC-SFHVURJKSA-N
XLogP4.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide 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

(2R)-2-ethoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100776755
2-ethoxy-N-(6-ethoxy-3-pyridinyl)-2-methylheptanamide
CID 133205772
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
(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778152
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide
CID 133205941
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 133205912
(2R)-2-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylhexanamide
CID 100774730
(2R)-2-methoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100774890
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 133205936
N-(6-ethoxy-3-pyridinyl)-2-methyl-2-propoxypentanamide
CID 133205889
(2R)-2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)butanamide
CID 100777566

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide?
The IUPAC name of (2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide (CID 100776618) is (2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide.
What is the SMILES notation for (2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide?
The canonical SMILES for (2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide is CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)cn1.
What is the InChIKey of (2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide?
The InChIKey is OSSFXJCSCLQQQC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-8-12-18(4,23-7-3)17(21)20-15-10-11-16(19-14-15)22-13-9-6-2/h10-11,14H,5-9,12-13H2,1-4H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide?
(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide has a molecular weight of 322.45 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide is sourced from PubChem (CID 100776618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).