3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide

C12H25N3O2 — CID 61248845

IUPAC3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide
SMILESCC(N)CC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-10(13)8-11(16)14-9-12(2,3)15-4-6-17-7-5-15/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyAPWXUEUSEJJITI-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds5

About 3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide

3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide (PubChem CID 61248845) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide
PubChem CID61248845
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide
SMILESCC(N)CC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-10(13)8-11(16)14-9-12(2,3)15-4-6-17-7-5-15/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyAPWXUEUSEJJITI-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide?
The IUPAC name of 3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide (CID 61248845) is 3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for 3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide is CC(N)CC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide?
The InChIKey is APWXUEUSEJJITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(13)8-11(16)14-9-12(2,3)15-4-6-17-7-5-15/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide?
3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 61248845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).