4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide

C13H24N2O3 — CID 164982954

IUPAC4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide
SMILESCC(=O)CNC(=O)CCC(NC(C)(C)C)C(C)=O
InChIInChI=1S/C13H24N2O3/c1-9(16)8-14-12(18)7-6-11(10(2)17)15-13(3,4)5/h11,15H,6-8H2,1-5H3,(H,14,18)
InChIKeyCGYKRPMIHMNUAO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.82
Rot. Bonds7

About 4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide

4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide (PubChem CID 164982954) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide.

Molecular Properties

Compound Name4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide
PubChem CID164982954
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide
SMILESCC(=O)CNC(=O)CCC(NC(C)(C)C)C(C)=O
InChIInChI=1S/C13H24N2O3/c1-9(16)8-14-12(18)7-6-11(10(2)17)15-13(3,4)5/h11,15H,6-8H2,1-5H3,(H,14,18)
InChIKeyCGYKRPMIHMNUAO-UHFFFAOYSA-N
XLogP0.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide?
The IUPAC name of 4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide (CID 164982954) is 4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide.
What is the SMILES notation for 4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide?
The canonical SMILES for 4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide is CC(=O)CNC(=O)CCC(NC(C)(C)C)C(C)=O.
What is the InChIKey of 4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide?
The InChIKey is CGYKRPMIHMNUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(16)8-14-12(18)7-6-11(10(2)17)15-13(3,4)5/h11,15H,6-8H2,1-5H3,(H,14,18).
What are the key properties of 4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide?
4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide has a molecular weight of 256.35 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide is sourced from PubChem (CID 164982954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).