methane;4-(2-methoxyethoxy)-2-oxobutanamide

C9H21NO4 — CID 159898844

IUPACmethane;4-(2-methoxyethoxy)-2-oxobutanamide
SMILESC.C.COCCOCCC(=O)C(N)=O
InChIInChI=1S/C7H13NO4.2CH4/c1-11-4-5-12-3-2-6(9)7(8)10;;/h2-5H2,1H3,(H2,8,10);2*1H4
InChIKeyNVRPPSZIOYRJEL-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.37
Rot. Bonds7

About methane;4-(2-methoxyethoxy)-2-oxobutanamide

methane;4-(2-methoxyethoxy)-2-oxobutanamide (PubChem CID 159898844) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is methane;4-(2-methoxyethoxy)-2-oxobutanamide.

Molecular Properties

Compound Namemethane;4-(2-methoxyethoxy)-2-oxobutanamide
PubChem CID159898844
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Namemethane;4-(2-methoxyethoxy)-2-oxobutanamide
SMILESC.C.COCCOCCC(=O)C(N)=O
InChIInChI=1S/C7H13NO4.2CH4/c1-11-4-5-12-3-2-6(9)7(8)10;;/h2-5H2,1H3,(H2,8,10);2*1H4
InChIKeyNVRPPSZIOYRJEL-UHFFFAOYSA-N
XLogP0.37
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
3-[2-(2-methoxyethoxy)ethoxy]propanethioamide
CID 104561947
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
CID 177319137
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanehydrazide
CID 118988091
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of methane;4-(2-methoxyethoxy)-2-oxobutanamide?
The IUPAC name of methane;4-(2-methoxyethoxy)-2-oxobutanamide (CID 159898844) is methane;4-(2-methoxyethoxy)-2-oxobutanamide.
What is the SMILES notation for methane;4-(2-methoxyethoxy)-2-oxobutanamide?
The canonical SMILES for methane;4-(2-methoxyethoxy)-2-oxobutanamide is C.C.COCCOCCC(=O)C(N)=O.
What is the InChIKey of methane;4-(2-methoxyethoxy)-2-oxobutanamide?
The InChIKey is NVRPPSZIOYRJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4.2CH4/c1-11-4-5-12-3-2-6(9)7(8)10;;/h2-5H2,1H3,(H2,8,10);2*1H4.
What are the key properties of methane;4-(2-methoxyethoxy)-2-oxobutanamide?
methane;4-(2-methoxyethoxy)-2-oxobutanamide has a molecular weight of 207.27 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(2-methoxyethoxy)-2-oxobutanamide is sourced from PubChem (CID 159898844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).