4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide

C11H20N2O4 — CID 167837851

IUPAC4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide
SMILESCCN1CCOCC1C(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C11H20N2O4/c1-2-13-3-4-16-6-9(13)11(15)12-8-5-17-7-10(8)14/h8-10,14H,2-7H2,1H3,(H,12,15)/t8-,9?,10-/m1/s1
InChIKeyAFIUREWJAQJXOQ-RCAUJQPQSA-N
MW244.29 g/mol
LogP-1.42
Rot. Bonds3

About 4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide

4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide (PubChem CID 167837851) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide
PubChem CID167837851
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide
SMILESCCN1CCOCC1C(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C11H20N2O4/c1-2-13-3-4-16-6-9(13)11(15)12-8-5-17-7-10(8)14/h8-10,14H,2-7H2,1H3,(H,12,15)/t8-,9?,10-/m1/s1
InChIKeyAFIUREWJAQJXOQ-RCAUJQPQSA-N
XLogP-1.42
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
N-(4-hydroxyoxolan-3-yl)propanamide
CID 130659329
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide
CID 154769508
N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide
CID 136530582
(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide
CID 97099885
N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide
CID 131916649
potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104353
N-cyclopropyl-4-(2-oxoethyl)morpholine-3-carboxamide
CID 83103250
ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate
CID 83103871
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide?
The IUPAC name of 4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide (CID 167837851) is 4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide?
The canonical SMILES for 4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide is CCN1CCOCC1C(=O)N[C@@H]1COC[C@H]1O.
What is the InChIKey of 4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide?
The InChIKey is AFIUREWJAQJXOQ-RCAUJQPQSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-13-3-4-16-6-9(13)11(15)12-8-5-17-7-10(8)14/h8-10,14H,2-7H2,1H3,(H,12,15)/t8-,9?,10-/m1/s1.
What are the key properties of 4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide?
4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of -1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide is sourced from PubChem (CID 167837851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).