2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide

C10H19NO4 — CID 58123084

IUPAC2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide
SMILESCCC(=O)CN(C(=O)COC)C(C)OC
InChIInChI=1S/C10H19NO4/c1-5-9(12)6-11(8(2)15-4)10(13)7-14-3/h8H,5-7H2,1-4H3
InChIKeyNWRMIONPBRINMT-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.43
Rot. Bonds7

About 2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide

2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide (PubChem CID 58123084) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide
PubChem CID58123084
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide
SMILESCCC(=O)CN(C(=O)COC)C(C)OC
InChIInChI=1S/C10H19NO4/c1-5-9(12)6-11(8(2)15-4)10(13)7-14-3/h8H,5-7H2,1-4H3
InChIKeyNWRMIONPBRINMT-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide?
The IUPAC name of 2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide (CID 58123084) is 2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide?
The canonical SMILES for 2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide is CCC(=O)CN(C(=O)COC)C(C)OC.
What is the InChIKey of 2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide?
The InChIKey is NWRMIONPBRINMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-9(12)6-11(8(2)15-4)10(13)7-14-3/h8H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide?
2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide has a molecular weight of 217.26 g/mol, XLogP of 0.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-methoxyethyl)-N-(2-oxobutyl)acetamide is sourced from PubChem (CID 58123084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).