(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide

C21H36N2O4 — CID 100778190

IUPAC(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1C
InChIInChI=1S/C21H36N2O4/c1-6-9-10-13-21(5,27-14-7-2)20(24)23-18-11-12-19(22-17(18)4)26-16-15-25-8-3/h11-12H,6-10,13-16H2,1-5H3,(H,23,24)/t21-/m0/s1
InChIKeyMWMVSMFVIUZVAZ-NRFANRHFSA-N
MW380.53 g/mol
LogP4.51
Rot. Bonds14

About (2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide

(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide (PubChem CID 100778190) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide.

Molecular Properties

Compound Name(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide
PubChem CID100778190
Molecular FormulaC21H36N2O4
Molecular Weight380.53 g/mol
Exact Mass380.27
IUPAC Name(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1C
InChIInChI=1S/C21H36N2O4/c1-6-9-10-13-21(5,27-14-7-2)20(24)23-18-11-12-19(22-17(18)4)26-16-15-25-8-3/h11-12H,6-10,13-16H2,1-5H3,(H,23,24)/t21-/m0/s1
InChIKeyMWMVSMFVIUZVAZ-NRFANRHFSA-N
XLogP4.51
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.51
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

(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 100778049
2-ethoxy-2-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)heptanamide
CID 133205778
(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 100776441
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide
CID 100776429
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide
CID 133205941
(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
CID 100777585
2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2,4-dimethylpentanamide
CID 133205697
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100776244
N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-2,4-dimethylpentanamide
CID 133205516
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxypropanamide
CID 100777525
2-methoxy-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 133205585
(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778152

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide?
The IUPAC name of (2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide (CID 100778190) is (2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide.
What is the SMILES notation for (2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide?
The canonical SMILES for (2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide is CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1C.
What is the InChIKey of (2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide?
The InChIKey is MWMVSMFVIUZVAZ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H36N2O4/c1-6-9-10-13-21(5,27-14-7-2)20(24)23-18-11-12-19(22-17(18)4)26-16-15-25-8-3/h11-12H,6-10,13-16H2,1-5H3,(H,23,24)/t21-/m0/s1.
What are the key properties of (2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide?
(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide has a molecular weight of 380.53 g/mol, XLogP of 4.51, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide is sourced from PubChem (CID 100778190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).