2-acetamidoacetamide;ethane;toluene

C13H22N2O2 — CID 145152417

IUPAC2-acetamidoacetamide;ethane;toluene
SMILESCC.CC(=O)NCC(N)=O.Cc1ccccc1
InChIInChI=1S/C7H8.C4H8N2O2.C2H6/c1-7-5-3-2-4-6-7;1-3(7)6-2-4(5)8;1-2/h2-6H,1H3;2H2,1H3,(H2,5,8)(H,6,7);1-2H3
InChIKeyLLLKVHPICTYPFI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.63
Rot. Bonds2

About 2-acetamidoacetamide;ethane;toluene

2-acetamidoacetamide;ethane;toluene (PubChem CID 145152417) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-acetamidoacetamide;ethane;toluene.

Molecular Properties

Compound Name2-acetamidoacetamide;ethane;toluene
PubChem CID145152417
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-acetamidoacetamide;ethane;toluene
SMILESCC.CC(=O)NCC(N)=O.Cc1ccccc1
InChIInChI=1S/C7H8.C4H8N2O2.C2H6/c1-7-5-3-2-4-6-7;1-3(7)6-2-4(5)8;1-2/h2-6H,1H3;2H2,1H3,(H2,5,8)(H,6,7);1-2H3
InChIKeyLLLKVHPICTYPFI-UHFFFAOYSA-N
XLogP1.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamidoacetamide;ethane;toluene?
The IUPAC name of 2-acetamidoacetamide;ethane;toluene (CID 145152417) is 2-acetamidoacetamide;ethane;toluene.
What is the SMILES notation for 2-acetamidoacetamide;ethane;toluene?
The canonical SMILES for 2-acetamidoacetamide;ethane;toluene is CC.CC(=O)NCC(N)=O.Cc1ccccc1.
What is the InChIKey of 2-acetamidoacetamide;ethane;toluene?
The InChIKey is LLLKVHPICTYPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H8N2O2.C2H6/c1-7-5-3-2-4-6-7;1-3(7)6-2-4(5)8;1-2/h2-6H,1H3;2H2,1H3,(H2,5,8)(H,6,7);1-2H3.
What are the key properties of 2-acetamidoacetamide;ethane;toluene?
2-acetamidoacetamide;ethane;toluene has a molecular weight of 238.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoacetamide;ethane;toluene is sourced from PubChem (CID 145152417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).