(2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide

C18H28N2O4 — CID 94820589

IUPAC(2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
SMILESCCOc1cc(CNC(=O)[C@H](OC[C@@H]2CCCO2)C(C)C)ccn1
InChIInChI=1S/C18H28N2O4/c1-4-22-16-10-14(7-8-19-16)11-20-18(21)17(13(2)3)24-12-15-6-5-9-23-15/h7-8,10,13,15,17H,4-6,9,11-12H2,1-3H3,(H,20,21)/t15-,17+/m0/s1
InChIKeyVSRCEIHCOPMREJ-DOTOQJQBSA-N
MW336.43 g/mol
LogP2.32
Rot. Bonds9

About (2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide

(2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide (PubChem CID 94820589) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide.

Molecular Properties

Compound Name(2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
PubChem CID94820589
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
SMILESCCOc1cc(CNC(=O)[C@H](OC[C@@H]2CCCO2)C(C)C)ccn1
InChIInChI=1S/C18H28N2O4/c1-4-22-16-10-14(7-8-19-16)11-20-18(21)17(13(2)3)24-12-15-6-5-9-23-15/h7-8,10,13,15,17H,4-6,9,11-12H2,1-3H3,(H,20,21)/t15-,17+/m0/s1
InChIKeyVSRCEIHCOPMREJ-DOTOQJQBSA-N
XLogP2.32
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide with MolForge

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Related Compounds

(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 95142078
1-[(2-ethoxy-4-pyridinyl)methyl]-3-[(2-phenyloxan-3-yl)methyl]urea
CID 86844010
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 52539512
(2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide
CID 52536429
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440
2-(2-cyanophenoxy)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-methylbutanamide
CID 55945677
2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111760992
2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid
CID 125153162
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-2-(oxolan-2-ylmethoxy)butanamide
CID 47082554
2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
CID 55707876
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-2-(oxolan-2-ylmethoxy)butanamide
CID 47082562
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide
CID 95341337

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide?
The IUPAC name of (2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide (CID 94820589) is (2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide.
What is the SMILES notation for (2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide?
The canonical SMILES for (2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide is CCOc1cc(CNC(=O)[C@H](OC[C@@H]2CCCO2)C(C)C)ccn1.
What is the InChIKey of (2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide?
The InChIKey is VSRCEIHCOPMREJ-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-4-22-16-10-14(7-8-19-16)11-20-18(21)17(13(2)3)24-12-15-6-5-9-23-15/h7-8,10,13,15,17H,4-6,9,11-12H2,1-3H3,(H,20,21)/t15-,17+/m0/s1.
What are the key properties of (2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide?
(2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide has a molecular weight of 336.43 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-ethoxy-4-pyridinyl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide is sourced from PubChem (CID 94820589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).