5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide

C12H20N2O4 — CID 139707460

IUPAC5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide
SMILESCC(C)(C)C(=O)CC(=O)C(=O)NN1CCOCC1
InChIInChI=1S/C12H20N2O4/c1-12(2,3)10(16)8-9(15)11(17)13-14-4-6-18-7-5-14/h4-8H2,1-3H3,(H,13,17)
InChIKeyLFTNTNTVESSPQX-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.08
Rot. Bonds4

About 5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide

5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide (PubChem CID 139707460) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide.

Molecular Properties

Compound Name5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide
PubChem CID139707460
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide
SMILESCC(C)(C)C(=O)CC(=O)C(=O)NN1CCOCC1
InChIInChI=1S/C12H20N2O4/c1-12(2,3)10(16)8-9(15)11(17)13-14-4-6-18-7-5-14/h4-8H2,1-3H3,(H,13,17)
InChIKeyLFTNTNTVESSPQX-UHFFFAOYSA-N
XLogP-0.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-morpholin-4-yl-2-oxoacetamide
CID 18449823
2-hydrazinyl-N-morpholin-4-yl-2-oxoacetamide
CID 91325671
2-amino-2-methyl-N-morpholin-4-ylbutanamide
CID 83016006
N-(3,3-dimethyl-2-oxobutyl)morpholine-4-carboxamide
CID 79152144
N-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-2-oxoacetamide
CID 108509776
2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid
CID 83020408
1,1-dimethyl-3-morpholin-4-ylurea
CID 116657343
2-chloro-N-morpholin-4-ylacetamide
CID 3653953
N-morpholin-4-yl-2-sulfanylacetamide
CID 83024350
N-morpholin-4-ylmorpholine-4-carboxamide
CID 116657345
2-methyl-2-morpholin-4-ylpropanoate
CID 25219445
N-morpholin-4-yl-2-(propan-2-ylamino)acetamide
CID 83016590

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide?
The IUPAC name of 5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide (CID 139707460) is 5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide.
What is the SMILES notation for 5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide?
The canonical SMILES for 5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide is CC(C)(C)C(=O)CC(=O)C(=O)NN1CCOCC1.
What is the InChIKey of 5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide?
The InChIKey is LFTNTNTVESSPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,3)10(16)8-9(15)11(17)13-14-4-6-18-7-5-14/h4-8H2,1-3H3,(H,13,17).
What are the key properties of 5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide?
5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide has a molecular weight of 256.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide is sourced from PubChem (CID 139707460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).