2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

C9H16N2O4 — CID 103849029

IUPAC2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H16N2O4/c1-7(12)10-4-8(13)11-5-9(14)2-3-15-6-9/h14H,2-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyWZLJMWNDPVTWSQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.61
Rot. Bonds4

About 2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (PubChem CID 103849029) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
PubChem CID103849029
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H16N2O4/c1-7(12)10-4-8(13)11-5-9(14)2-3-15-6-9/h14H,2-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyWZLJMWNDPVTWSQ-UHFFFAOYSA-N
XLogP-1.61
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-3-carboxamide
CID 121536819
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103849304
N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 104709176
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106100461
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106100664
2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101458
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 107301861
2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113450181
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114143496
2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 126972964
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(3-methoxypropyl)acetamide
CID 81130277
N1-ethyl-N2-(2-hydroxy-3-methoxy-2-methylpropyl)oxalamide
CID 90501038

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (CID 103849029) is 2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is CC(=O)NCC(=O)NCC1(O)CCOC1.
What is the InChIKey of 2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The InChIKey is WZLJMWNDPVTWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-7(12)10-4-8(13)11-5-9(14)2-3-15-6-9/h14H,2-6H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide has a molecular weight of 216.24 g/mol, XLogP of -1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 103849029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).