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

C11H23N3O2 — CID 87723783

IUPAC3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCC(N)C(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-9(10(2)12)11(15)13-3-4-14-5-7-16-8-6-14/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyPDLFBZYCVDJPIX-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.58
Rot. Bonds5

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

3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 87723783) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID87723783
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCC(N)C(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-9(10(2)12)11(15)13-3-4-14-5-7-16-8-6-14/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyPDLFBZYCVDJPIX-UHFFFAOYSA-N
XLogP-0.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide (CID 87723783) is 3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide is CC(N)C(C)C(=O)NCCN1CCOCC1.
What is the InChIKey of 3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is PDLFBZYCVDJPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(10(2)12)11(15)13-3-4-14-5-7-16-8-6-14/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide?
3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 229.32 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 87723783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).