2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide

C10H16N2O4 — CID 770040

IUPAC2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)COCC1=O
InChIInChI=1S/C10H16N2O4/c1-3-11(4-2)8(13)5-12-9(14)6-16-7-10(12)15/h3-7H2,1-2H3
InChIKeyDRBDAPSWUUXNOT-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.76
Rot. Bonds4

About 2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide

2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide (PubChem CID 770040) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide
PubChem CID770040
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)COCC1=O
InChIInChI=1S/C10H16N2O4/c1-3-11(4-2)8(13)5-12-9(14)6-16-7-10(12)15/h3-7H2,1-2H3
InChIKeyDRBDAPSWUUXNOT-UHFFFAOYSA-N
XLogP-0.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide (CID 770040) is 2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide is CCN(CC)C(=O)CN1C(=O)COCC1=O.
What is the InChIKey of 2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide?
The InChIKey is DRBDAPSWUUXNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-11(4-2)8(13)5-12-9(14)6-16-7-10(12)15/h3-7H2,1-2H3.
What are the key properties of 2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide?
2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide has a molecular weight of 228.25 g/mol, XLogP of -0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxomorpholin-4-yl)-N,N-diethylacetamide is sourced from PubChem (CID 770040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).