N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate

C14H26N2O7 — CID 159490113

IUPACN-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate
SMILESCOC(=O)C[C@H](C)C(=O)CC(=O)N(C)OC.CON(C)C(C)=O
InChIInChI=1S/C10H17NO5.C4H9NO2/c1-7(5-10(14)15-3)8(12)6-9(13)11(2)16-4;1-4(6)5(2)7-3/h7H,5-6H2,1-4H3;1-3H3/t7-;/m0./s1
InChIKeyLYBSIQCNSHHDMB-FJXQXJEOSA-N
MW334.37 g/mol
LogP0.19
Rot. Bonds7

About N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate

N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate (PubChem CID 159490113) has the molecular formula C14H26N2O7 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate.

Molecular Properties

Compound NameN-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate
PubChem CID159490113
Molecular FormulaC14H26N2O7
Molecular Weight334.37 g/mol
Exact Mass334.17
IUPAC NameN-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate
SMILESCOC(=O)C[C@H](C)C(=O)CC(=O)N(C)OC.CON(C)C(C)=O
InChIInChI=1S/C10H17NO5.C4H9NO2/c1-7(5-10(14)15-3)8(12)6-9(13)11(2)16-4;1-4(6)5(2)7-3/h7H,5-6H2,1-4H3;1-3H3/t7-;/m0./s1
InChIKeyLYBSIQCNSHHDMB-FJXQXJEOSA-N
XLogP0.19
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N,3-dimethylbutanamide
CID 10975620
ethane;methyl 5-fluoro-3-methyl-4-oxopentanoate
CID 145095844
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
methyl 3,4-dimethylpentanoate
CID 554058
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
methyl 3-methyl-4-oxoundecanoate
CID 13301938
methyl 3-(hydroxyamino)butanoate
CID 103282672
N-methoxy-N-methylpropanamide
CID 11344007
methyl (3R,4S)-3,4-dimethyl-5-oxohexanoate
CID 170849534
methyl 3-methyl-5-oxohexanoate
CID 13198405

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate?
The IUPAC name of N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate (CID 159490113) is N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate.
What is the SMILES notation for N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate?
The canonical SMILES for N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate is COC(=O)C[C@H](C)C(=O)CC(=O)N(C)OC.CON(C)C(C)=O.
What is the InChIKey of N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate?
The InChIKey is LYBSIQCNSHHDMB-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H17NO5.C4H9NO2/c1-7(5-10(14)15-3)8(12)6-9(13)11(2)16-4;1-4(6)5(2)7-3/h7H,5-6H2,1-4H3;1-3H3/t7-;/m0./s1.
What are the key properties of N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate?
N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate has a molecular weight of 334.37 g/mol, XLogP of 0.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylacetamide;methyl (3S)-6-[methoxy(methyl)amino]-3-methyl-4,6-dioxohexanoate is sourced from PubChem (CID 159490113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).