4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide

C16H33N3O2 — CID 102743220

IUPAC4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide
SMILESCC(C)(C)NC(=O)CC(CN)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C16H33N3O2/c1-14(2,3)18-13(20)8-12(9-17)19-10-15(4,5)21-16(6,7)11-19/h12H,8-11,17H2,1-7H3,(H,18,20)
InChIKeyKCPRLSPHXBJJEI-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide

4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide (PubChem CID 102743220) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide
PubChem CID102743220
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide
SMILESCC(C)(C)NC(=O)CC(CN)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C16H33N3O2/c1-14(2,3)18-13(20)8-12(9-17)19-10-15(4,5)21-16(6,7)11-19/h12H,8-11,17H2,1-7H3,(H,18,20)
InChIKeyKCPRLSPHXBJJEI-UHFFFAOYSA-N
XLogP1.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide (CID 102743220) is 4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide is CC(C)(C)NC(=O)CC(CN)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide?
The InChIKey is KCPRLSPHXBJJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-14(2,3)18-13(20)8-12(9-17)19-10-15(4,5)21-16(6,7)11-19/h12H,8-11,17H2,1-7H3,(H,18,20).
What are the key properties of 4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide?
4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide has a molecular weight of 299.46 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide is sourced from PubChem (CID 102743220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).