ethyl 4-acetamido-4-morpholin-4-ylbutanoate

C12H22N2O4 — CID 22069192

IUPACethyl 4-acetamido-4-morpholin-4-ylbutanoate
SMILESCCOC(=O)CCC(NC(C)=O)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-3-18-12(16)5-4-11(13-10(2)15)14-6-8-17-9-7-14/h11H,3-9H2,1-2H3,(H,13,15)
InChIKeyYZCNOAVOYNYXBU-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.12
Rot. Bonds6

About ethyl 4-acetamido-4-morpholin-4-ylbutanoate

ethyl 4-acetamido-4-morpholin-4-ylbutanoate (PubChem CID 22069192) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 4-acetamido-4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-acetamido-4-morpholin-4-ylbutanoate
PubChem CID22069192
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl 4-acetamido-4-morpholin-4-ylbutanoate
SMILESCCOC(=O)CCC(NC(C)=O)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-3-18-12(16)5-4-11(13-10(2)15)14-6-8-17-9-7-14/h11H,3-9H2,1-2H3,(H,13,15)
InChIKeyYZCNOAVOYNYXBU-UHFFFAOYSA-N
XLogP0.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-acetamido-4-morpholin-4-ylbutanoate 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 ethyl 4-acetamido-4-morpholin-4-ylbutanoate?
The IUPAC name of ethyl 4-acetamido-4-morpholin-4-ylbutanoate (CID 22069192) is ethyl 4-acetamido-4-morpholin-4-ylbutanoate.
What is the SMILES notation for ethyl 4-acetamido-4-morpholin-4-ylbutanoate?
The canonical SMILES for ethyl 4-acetamido-4-morpholin-4-ylbutanoate is CCOC(=O)CCC(NC(C)=O)N1CCOCC1.
What is the InChIKey of ethyl 4-acetamido-4-morpholin-4-ylbutanoate?
The InChIKey is YZCNOAVOYNYXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-18-12(16)5-4-11(13-10(2)15)14-6-8-17-9-7-14/h11H,3-9H2,1-2H3,(H,13,15).
What are the key properties of ethyl 4-acetamido-4-morpholin-4-ylbutanoate?
ethyl 4-acetamido-4-morpholin-4-ylbutanoate has a molecular weight of 258.32 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetamido-4-morpholin-4-ylbutanoate is sourced from PubChem (CID 22069192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).