N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide

C12H22N2O4 — CID 131916649

IUPACN-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide
SMILESCC(C)(C(=O)N[C@H]1COC[C@@H]1O)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-12(2,14-3-5-17-6-4-14)11(16)13-9-7-18-8-10(9)15/h9-10,15H,3-8H2,1-2H3,(H,13,16)/t9-,10-/m0/s1
InChIKeyYRHMDTGUSOMBPD-UWVGGRQHSA-N
MW258.32 g/mol
LogP-1.03
Rot. Bonds3

About N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide

N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide (PubChem CID 131916649) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide
PubChem CID131916649
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC NameN-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide
SMILESCC(C)(C(=O)N[C@H]1COC[C@@H]1O)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-12(2,14-3-5-17-6-4-14)11(16)13-9-7-18-8-10(9)15/h9-10,15H,3-8H2,1-2H3,(H,13,16)/t9-,10-/m0/s1
InChIKeyYRHMDTGUSOMBPD-UWVGGRQHSA-N
XLogP-1.03
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide with MolForge

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Related Compounds

2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705556
N,2-dimethyl-2-morpholin-4-ylpropanamide
CID 59526666
N-hydroxy-2-methyl-2-morpholin-4-ylpropanamide
CID 127000284
2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130674365
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518
2-methyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-morpholin-4-ylpropanamide
CID 128895113
4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide
CID 167837851
2-methyl-2-morpholin-4-ylpropanoate
CID 25219445
2-methyl-2-morpholin-4-ylpropanoyl iodide
CID 155067930
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 107222046
N-(2,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropanamide;hydrochloride
CID 174853192
N-(3,5-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropanamide;hydrochloride
CID 174852443

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide (CID 131916649) is N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide is CC(C)(C(=O)N[C@H]1COC[C@@H]1O)N1CCOCC1.
What is the InChIKey of N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide?
The InChIKey is YRHMDTGUSOMBPD-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,14-3-5-17-6-4-14)11(16)13-9-7-18-8-10(9)15/h9-10,15H,3-8H2,1-2H3,(H,13,16)/t9-,10-/m0/s1.
What are the key properties of N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide?
N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide has a molecular weight of 258.32 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 131916649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).