diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate

C16H28N2O6 — CID 23206147

IUPACdiethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate
SMILESCCOC(=O)C(CCCN1CCOCC1)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C16H28N2O6/c1-4-23-14(20)16(17-13(3)19,15(21)24-5-2)7-6-8-18-9-11-22-12-10-18/h4-12H2,1-3H3,(H,17,19)
InChIKeyAHHGCAXASMQYCZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.10
Rot. Bonds9

About diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate

diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate (PubChem CID 23206147) has the molecular formula C16H28N2O6 and a molecular weight of 344.41 g/mol. Its IUPAC name is diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate
PubChem CID23206147
Molecular FormulaC16H28N2O6
Molecular Weight344.41 g/mol
Exact Mass344.19
IUPAC Namediethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate
SMILESCCOC(=O)C(CCCN1CCOCC1)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C16H28N2O6/c1-4-23-14(20)16(17-13(3)19,15(21)24-5-2)7-6-8-18-9-11-22-12-10-18/h4-12H2,1-3H3,(H,17,19)
InChIKeyAHHGCAXASMQYCZ-UHFFFAOYSA-N
XLogP0.10
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Diethyl acetamido[3-[2-oxo-3-oxazolidinyl]propyl]malonate
CID 537228
Diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate
CID 18975848
1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate
CID 22069221
2-Acetamido-2-ethoxycarbonyl-6-piperidin-1-ylhexanoic acid
CID 22401127
Diethyl 2-acetamido-2-(3-thiomorpholin-4-ylpropyl)propanedioate
CID 23206143
Diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate
CID 23206144
Diethyl 2-acetamido-2-(3-pyrrolidin-1-ylpropyl)propanedioate
CID 23206146
Diethyl 2-acetamido-2-[4-(4-methylpiperazin-1-yl)butyl]propanedioate
CID 23206148
Diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate
CID 23206150
3-O-tert-butyl 1-O-methyl (2S)-2-amino-2-(3-piperidin-1-ylpropyl)propanedioate
CID 140491250
1-O-methyl 3-O-propyl 2-ethyl-2-(piperidine-3-carbonylamino)propanedioate
CID 145828906
Methyl 3-amino-1-(1-ethoxy-1-oxopropan-2-yl)-2-oxopiperidine-3-carboxylate
CID 174653430

Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate?
The IUPAC name of diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate (CID 23206147) is diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate?
The canonical SMILES for diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate is CCOC(=O)C(CCCN1CCOCC1)(NC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate?
The InChIKey is AHHGCAXASMQYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O6/c1-4-23-14(20)16(17-13(3)19,15(21)24-5-2)7-6-8-18-9-11-22-12-10-18/h4-12H2,1-3H3,(H,17,19).
What are the key properties of diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate?
diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate has a molecular weight of 344.41 g/mol, XLogP of 0.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate is sourced from PubChem (CID 23206147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).