N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide

C13H26N2O2 — CID 88988167

IUPACN-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(C(=O)NCC(N)=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)7-9(13(4,5)6)11(17)15-8-10(14)16/h9H,7-8H2,1-6H3,(H2,14,16)(H,15,17)
InChIKeyGXXIIYHXZRWIIM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.69
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide

N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide (PubChem CID 88988167) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
PubChem CID88988167
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(C(=O)NCC(N)=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)7-9(13(4,5)6)11(17)15-8-10(14)16/h9H,7-8H2,1-6H3,(H2,14,16)(H,15,17)
InChIKeyGXXIIYHXZRWIIM-UHFFFAOYSA-N
XLogP1.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.69
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-tert-butyl-4,4-dimethylpentanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide (CID 88988167) is N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide is CC(C)(C)CC(C(=O)NCC(N)=O)C(C)(C)C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide?
The InChIKey is GXXIIYHXZRWIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)7-9(13(4,5)6)11(17)15-8-10(14)16/h9H,7-8H2,1-6H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide?
N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.69, 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-tert-butyl-4,4-dimethylpentanamide is sourced from PubChem (CID 88988167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).