diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate

C17H32N2O5 — CID 57209903

IUPACdiethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate
SMILESCCOC(=O)C(NC(C)=O)(C(=O)OCC)C(C)N(C(C)C)C(C)C
InChIInChI=1S/C17H32N2O5/c1-9-23-15(21)17(18-14(8)20,16(22)24-10-2)13(7)19(11(3)4)12(5)6/h11-13H,9-10H2,1-8H3,(H,18,20)
InChIKeyYKCPNYBBQDQKJY-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.49
Rot. Bonds9

About diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate

diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate (PubChem CID 57209903) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate
PubChem CID57209903
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Namediethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate
SMILESCCOC(=O)C(NC(C)=O)(C(=O)OCC)C(C)N(C(C)C)C(C)C
InChIInChI=1S/C17H32N2O5/c1-9-23-15(21)17(18-14(8)20,16(22)24-10-2)13(7)19(11(3)4)12(5)6/h11-13H,9-10H2,1-8H3,(H,18,20)
InChIKeyYKCPNYBBQDQKJY-UHFFFAOYSA-N
XLogP1.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.49
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-[1-[di(propan-2-yl)amino]ethyl]propanedioate?
The IUPAC name of diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate (CID 57209903) is diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate?
The canonical SMILES for diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate is CCOC(=O)C(NC(C)=O)(C(=O)OCC)C(C)N(C(C)C)C(C)C.
What is the InChIKey of diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate?
The InChIKey is YKCPNYBBQDQKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-9-23-15(21)17(18-14(8)20,16(22)24-10-2)13(7)19(11(3)4)12(5)6/h11-13H,9-10H2,1-8H3,(H,18,20).
What are the key properties of diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate?
diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate has a molecular weight of 344.45 g/mol, XLogP of 1.49, 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-[1-[di(propan-2-yl)amino]ethyl]propanedioate is sourced from PubChem (CID 57209903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).