2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate

C14H25NO5 — CID 58364129

IUPAC2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate
SMILESCCNC(=O)CCC(=O)OCCOC(=O)C(C)(C)CC
InChIInChI=1S/C14H25NO5/c1-5-14(3,4)13(18)20-10-9-19-12(17)8-7-11(16)15-6-2/h5-10H2,1-4H3,(H,15,16)
InChIKeyGWKDNOTWLUMSJE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.43
Rot. Bonds9

About 2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate

2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate (PubChem CID 58364129) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate
PubChem CID58364129
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate
SMILESCCNC(=O)CCC(=O)OCCOC(=O)C(C)(C)CC
InChIInChI=1S/C14H25NO5/c1-5-14(3,4)13(18)20-10-9-19-12(17)8-7-11(16)15-6-2/h5-10H2,1-4H3,(H,15,16)
InChIKeyGWKDNOTWLUMSJE-UHFFFAOYSA-N
XLogP1.43
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate 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 2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate (CID 58364129) is 2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate is CCNC(=O)CCC(=O)OCCOC(=O)C(C)(C)CC.
What is the InChIKey of 2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate?
The InChIKey is GWKDNOTWLUMSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-5-14(3,4)13(18)20-10-9-19-12(17)8-7-11(16)15-6-2/h5-10H2,1-4H3,(H,15,16).
What are the key properties of 2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate?
2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate has a molecular weight of 287.36 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)-4-oxobutanoyl]oxyethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 58364129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).