N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide

C12H22N2O2 — CID 10013935

IUPACN-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide
SMILESCC1(C)CCC(CC(=O)NCC(N)=O)CC1
InChIInChI=1S/C12H22N2O2/c1-12(2)5-3-9(4-6-12)7-11(16)14-8-10(13)15/h9H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyRTWKJNLHECJBDT-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.19
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide

N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide (PubChem CID 10013935) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide
PubChem CID10013935
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide
SMILESCC1(C)CCC(CC(=O)NCC(N)=O)CC1
InChIInChI=1S/C12H22N2O2/c1-12(2)5-3-9(4-6-12)7-11(16)14-8-10(13)15/h9H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyRTWKJNLHECJBDT-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide (CID 10013935) is N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide is CC1(C)CCC(CC(=O)NCC(N)=O)CC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide?
The InChIKey is RTWKJNLHECJBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)5-3-9(4-6-12)7-11(16)14-8-10(13)15/h9H,3-8H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide?
N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide has a molecular weight of 226.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 10013935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).