2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide

C7H13N3O3 — CID 582441

IUPAC2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCNC(=O)CNC(=O)CNC(C)=O
InChIInChI=1S/C7H13N3O3/c1-5(11)9-4-7(13)10-3-6(12)8-2/h3-4H2,1-2H3,(H,8,12)(H,9,11)(H,10,13)
InChIKeyHKKAJCZBRFWASV-UHFFFAOYSA-N
MW187.20 g/mol
LogP-2.02
Rot. Bonds4

About 2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide

2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide (PubChem CID 582441) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide
PubChem CID582441
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCNC(=O)CNC(=O)CNC(C)=O
InChIInChI=1S/C7H13N3O3/c1-5(11)9-4-7(13)10-3-6(12)8-2/h3-4H2,1-2H3,(H,8,12)(H,9,11)(H,10,13)
InChIKeyHKKAJCZBRFWASV-UHFFFAOYSA-N
XLogP-2.02
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide (CID 582441) is 2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide is CNC(=O)CNC(=O)CNC(C)=O.
What is the InChIKey of 2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide?
The InChIKey is HKKAJCZBRFWASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-5(11)9-4-7(13)10-3-6(12)8-2/h3-4H2,1-2H3,(H,8,12)(H,9,11)(H,10,13).
What are the key properties of 2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide?
2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide has a molecular weight of 187.20 g/mol, XLogP of -2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(methylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 582441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).