(2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide

C11H21NO3 — CID 129399565

IUPAC(2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide
SMILESCCN(CCO)C(=O)[C@H]1CCCO[C@@H]1C
InChIInChI=1S/C11H21NO3/c1-3-12(6-7-13)11(14)10-5-4-8-15-9(10)2/h9-10,13H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeySQNGSGGOUNSDFX-ZJUUUORDSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds4

About (2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide

(2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide (PubChem CID 129399565) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide
PubChem CID129399565
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide
SMILESCCN(CCO)C(=O)[C@H]1CCCO[C@@H]1C
InChIInChI=1S/C11H21NO3/c1-3-12(6-7-13)11(14)10-5-4-8-15-9(10)2/h9-10,13H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeySQNGSGGOUNSDFX-ZJUUUORDSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide
CID 129399564
methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79762794
(2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide
CID 129399481
N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide
CID 79750666
2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978575
3-[benzyl-(2-methyloxane-3-carbonyl)amino]propanoic acid
CID 136553511
N-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 53410858
N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide
CID 137216385
N-benzyl-N-(2-hydroxy-2-methylpropyl)-2-methyloxane-3-carboxamide
CID 129000788
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide
CID 79763170
(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide
CID 130892243
N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide
CID 62213009

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide?
The IUPAC name of (2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide (CID 129399565) is (2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide?
The canonical SMILES for (2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide is CCN(CCO)C(=O)[C@H]1CCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide?
The InChIKey is SQNGSGGOUNSDFX-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12(6-7-13)11(14)10-5-4-8-15-9(10)2/h9-10,13H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide?
(2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide is sourced from PubChem (CID 129399565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).