N-(2-methoxyethyl)-2-oxoacetamide

C5H9NO3 — CID 21031057

IUPACN-(2-methoxyethyl)-2-oxoacetamide
SMILESCOCCNC(=O)C=O
InChIInChI=1S/C5H9NO3/c1-9-3-2-6-5(8)4-7/h4H,2-3H2,1H3,(H,6,8)
InChIKeyOCHURGUGWBWNDP-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.05
Rot. Bonds4

About N-(2-methoxyethyl)-2-oxoacetamide

N-(2-methoxyethyl)-2-oxoacetamide (PubChem CID 21031057) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-oxoacetamide
PubChem CID21031057
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC NameN-(2-methoxyethyl)-2-oxoacetamide
SMILESCOCCNC(=O)C=O
InChIInChI=1S/C5H9NO3/c1-9-3-2-6-5(8)4-7/h4H,2-3H2,1H3,(H,6,8)
InChIKeyOCHURGUGWBWNDP-UHFFFAOYSA-N
XLogP-1.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-4-(2-methoxyethylamino)-4-oxobut-2-enoyl]amino]acetic acid
CID 100926423
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
4-(2-methoxyethylamino)-2-methyl-4-oxobut-2-enoyl chloride
CID 174059484
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
2,2,2-trichloro-N-(2-methoxyethyl)acetamide
CID 4248140
N-(2-methoxyethyl)-2-oxobutanamide
CID 141125375
N-(2-methoxyethyl)-2-[(2-methoxy-2-methylpropyl)amino]acetamide
CID 104760634
(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 24843641
methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide
CID 166103220

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-oxoacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-oxoacetamide (CID 21031057) is N-(2-methoxyethyl)-2-oxoacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-oxoacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-oxoacetamide is COCCNC(=O)C=O.
What is the InChIKey of N-(2-methoxyethyl)-2-oxoacetamide?
The InChIKey is OCHURGUGWBWNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-9-3-2-6-5(8)4-7/h4H,2-3H2,1H3,(H,6,8).
What are the key properties of N-(2-methoxyethyl)-2-oxoacetamide?
N-(2-methoxyethyl)-2-oxoacetamide has a molecular weight of 131.13 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-oxoacetamide is sourced from PubChem (CID 21031057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).