3-amino-N-(2,2-diethoxyethyl)butanamide

C10H22N2O3 — CID 79547712

IUPAC3-amino-N-(2,2-diethoxyethyl)butanamide
SMILESCCOC(CNC(=O)CC(C)N)OCC
InChIInChI=1S/C10H22N2O3/c1-4-14-10(15-5-2)7-12-9(13)6-8(3)11/h8,10H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyMFSSSHZOAGJCBE-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.24
Rot. Bonds8

About 3-amino-N-(2,2-diethoxyethyl)butanamide

3-amino-N-(2,2-diethoxyethyl)butanamide (PubChem CID 79547712) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-N-(2,2-diethoxyethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-diethoxyethyl)butanamide
PubChem CID79547712
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-amino-N-(2,2-diethoxyethyl)butanamide
SMILESCCOC(CNC(=O)CC(C)N)OCC
InChIInChI=1S/C10H22N2O3/c1-4-14-10(15-5-2)7-12-9(13)6-8(3)11/h8,10H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyMFSSSHZOAGJCBE-UHFFFAOYSA-N
XLogP0.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-diethoxyethyl)butanamide?
The IUPAC name of 3-amino-N-(2,2-diethoxyethyl)butanamide (CID 79547712) is 3-amino-N-(2,2-diethoxyethyl)butanamide.
What is the SMILES notation for 3-amino-N-(2,2-diethoxyethyl)butanamide?
The canonical SMILES for 3-amino-N-(2,2-diethoxyethyl)butanamide is CCOC(CNC(=O)CC(C)N)OCC.
What is the InChIKey of 3-amino-N-(2,2-diethoxyethyl)butanamide?
The InChIKey is MFSSSHZOAGJCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-4-14-10(15-5-2)7-12-9(13)6-8(3)11/h8,10H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-N-(2,2-diethoxyethyl)butanamide?
3-amino-N-(2,2-diethoxyethyl)butanamide has a molecular weight of 218.30 g/mol, XLogP of 0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-diethoxyethyl)butanamide is sourced from PubChem (CID 79547712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).