diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate

C14H26N2O5 — CID 18975848

IUPACdiethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate
SMILESCCOC(=O)C(CCCN(C)C)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C14H26N2O5/c1-6-20-12(18)14(15-11(3)17,13(19)21-7-2)9-8-10-16(4)5/h6-10H2,1-5H3,(H,15,17)
InChIKeyUFIMEFRYBYPKJJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.33
Rot. Bonds9

About diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate

diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate (PubChem CID 18975848) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate
PubChem CID18975848
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Namediethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate
SMILESCCOC(=O)C(CCCN(C)C)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C14H26N2O5/c1-6-20-12(18)14(15-11(3)17,13(19)21-7-2)9-8-10-16(4)5/h6-10H2,1-5H3,(H,15,17)
InChIKeyUFIMEFRYBYPKJJ-UHFFFAOYSA-N
XLogP0.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate?
The IUPAC name of diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate (CID 18975848) is diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate?
The canonical SMILES for diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate is CCOC(=O)C(CCCN(C)C)(NC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate?
The InChIKey is UFIMEFRYBYPKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-6-20-12(18)14(15-11(3)17,13(19)21-7-2)9-8-10-16(4)5/h6-10H2,1-5H3,(H,15,17).
What are the key properties of diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate?
diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate has a molecular weight of 302.37 g/mol, XLogP of 0.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate is sourced from PubChem (CID 18975848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).