2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide

C10H18N2O2 — CID 165491011

IUPAC2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide
SMILESCC1(C)CCC(=O)CC1C(N)C(N)=O
InChIInChI=1S/C10H18N2O2/c1-10(2)4-3-6(13)5-7(10)8(11)9(12)14/h7-8H,3-5,11H2,1-2H3,(H2,12,14)
InChIKeyXRAQTTUVHBICFX-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.19
Rot. Bonds2

About 2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide

2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide (PubChem CID 165491011) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide
PubChem CID165491011
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide
SMILESCC1(C)CCC(=O)CC1C(N)C(N)=O
InChIInChI=1S/C10H18N2O2/c1-10(2)4-3-6(13)5-7(10)8(11)9(12)14/h7-8H,3-5,11H2,1-2H3,(H2,12,14)
InChIKeyXRAQTTUVHBICFX-UHFFFAOYSA-N
XLogP0.19
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide?
The IUPAC name of 2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide (CID 165491011) is 2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide.
What is the SMILES notation for 2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide?
The canonical SMILES for 2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide is CC1(C)CCC(=O)CC1C(N)C(N)=O.
What is the InChIKey of 2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide?
The InChIKey is XRAQTTUVHBICFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2)4-3-6(13)5-7(10)8(11)9(12)14/h7-8H,3-5,11H2,1-2H3,(H2,12,14).
What are the key properties of 2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide?
2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide has a molecular weight of 198.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide is sourced from PubChem (CID 165491011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).