methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide

C9H17NO3 — CID 166103220

IUPACmethoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide
SMILESC=C(C)CNC(=O)C=O.CCOC
InChIInChI=1S/C6H9NO2.C3H8O/c1-5(2)3-7-6(9)4-8;1-3-4-2/h4H,1,3H2,2H3,(H,7,9);3H2,1-2H3
InChIKeyHJPVJKUXXLKSIR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.53
Rot. Bonds4

About methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide

methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide (PubChem CID 166103220) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide.

Molecular Properties

Compound Namemethoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide
PubChem CID166103220
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide
SMILESC=C(C)CNC(=O)C=O.CCOC
InChIInChI=1S/C6H9NO2.C3H8O/c1-5(2)3-7-6(9)4-8;1-3-4-2/h4H,1,3H2,2H3,(H,7,9);3H2,1-2H3
InChIKeyHJPVJKUXXLKSIR-UHFFFAOYSA-N
XLogP0.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2-oxobutyl)acetamide
CID 22335308
N-(2-methoxyethyl)-2-oxoacetamide
CID 21031057
4-ethoxy-N-(2-methylprop-2-enyl)butanamide
CID 114618597
2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
CID 114618641
2-(ethylamino)-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 114617159
2-(oxaldehydoylamino)acetic acid
CID 18960539
2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 114617067
N-(2-methoxyethyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115574976
2-methylprop-2-enylurea
CID 22226516
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
methoxyethane;3-methoxyprop-1-ene;methyl acetate
CID 158707708
N-ethoxy-2-oxoacetamide
CID 19818586

Frequently Asked Questions

What is the IUPAC name of methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide?
The IUPAC name of methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide (CID 166103220) is methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide.
What is the SMILES notation for methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide?
The canonical SMILES for methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide is C=C(C)CNC(=O)C=O.CCOC.
What is the InChIKey of methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide?
The InChIKey is HJPVJKUXXLKSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.C3H8O/c1-5(2)3-7-6(9)4-8;1-3-4-2/h4H,1,3H2,2H3,(H,7,9);3H2,1-2H3.
What are the key properties of methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide?
methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide has a molecular weight of 187.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide is sourced from PubChem (CID 166103220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).