4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide

C12H23N3O4 — CID 66250254

IUPAC4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
SMILESCOCCNC(=O)CN(C)C(=O)C1(C)COCC1N
InChIInChI=1S/C12H23N3O4/c1-12(8-19-7-9(12)13)11(17)15(2)6-10(16)14-4-5-18-3/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyBDWMZHNXFCENHR-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.43
Rot. Bonds6

About 4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide

4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide (PubChem CID 66250254) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
PubChem CID66250254
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
SMILESCOCCNC(=O)CN(C)C(=O)C1(C)COCC1N
InChIInChI=1S/C12H23N3O4/c1-12(8-19-7-9(12)13)11(17)15(2)6-10(16)14-4-5-18-3/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyBDWMZHNXFCENHR-UHFFFAOYSA-N
XLogP-1.43
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide (CID 66250254) is 4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide is COCCNC(=O)CN(C)C(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide?
The InChIKey is BDWMZHNXFCENHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-12(8-19-7-9(12)13)11(17)15(2)6-10(16)14-4-5-18-3/h9H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide?
4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of -1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 66250254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).