4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide

C13H27N3O2 — CID 63053336

IUPAC4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide
SMILESCCCNC(CCN1CCOC(C)(C)C1)C(N)=O
InChIInChI=1S/C13H27N3O2/c1-4-6-15-11(12(14)17)5-7-16-8-9-18-13(2,3)10-16/h11,15H,4-10H2,1-3H3,(H2,14,17)
InChIKeyGFSNEPBUBNLVOX-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds7

About 4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide

4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide (PubChem CID 63053336) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide
PubChem CID63053336
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide
SMILESCCCNC(CCN1CCOC(C)(C)C1)C(N)=O
InChIInChI=1S/C13H27N3O2/c1-4-6-15-11(12(14)17)5-7-16-8-9-18-13(2,3)10-16/h11,15H,4-10H2,1-3H3,(H2,14,17)
InChIKeyGFSNEPBUBNLVOX-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide (CID 63053336) is 4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide is CCCNC(CCN1CCOC(C)(C)C1)C(N)=O.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide?
The InChIKey is GFSNEPBUBNLVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-6-15-11(12(14)17)5-7-16-8-9-18-13(2,3)10-16/h11,15H,4-10H2,1-3H3,(H2,14,17).
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide?
4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)-2-(propylamino)butanamide is sourced from PubChem (CID 63053336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).