N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide

C9H17NO3 — CID 170609899

IUPACN,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide
SMILESCC(C)C(=O)COCC(=O)N(C)C
InChIInChI=1S/C9H17NO3/c1-7(2)8(11)5-13-6-9(12)10(3)4/h7H,5-6H2,1-4H3
InChIKeyPEOAFMNNMNGXJS-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds5

About N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide

N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide (PubChem CID 170609899) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide
PubChem CID170609899
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide
SMILESCC(C)C(=O)COCC(=O)N(C)C
InChIInChI=1S/C9H17NO3/c1-7(2)8(11)5-13-6-9(12)10(3)4/h7H,5-6H2,1-4H3
InChIKeyPEOAFMNNMNGXJS-UHFFFAOYSA-N
XLogP0.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(3-methyl-2-oxobutoxy)butan-2-one;3-methyl-1-(3-methyl-2-oxobutyl)sulfanylbutan-2-one
CID 163834477
N,N-dimethyl-2-(2-propan-2-yloxyethoxy)acetamide
CID 172604090
2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide
CID 122450417
3-methyl-1-[2-(3-methyl-2-oxobutoxy)ethoxy]butan-2-one;2-(2-propan-2-yloxyethoxy)propane
CID 163475456
N-(2-ethoxyethyl)-2-(3-methyl-2-oxobutoxy)acetamide;molecular hydrogen
CID 156820587
3-methyl-1-octoxybutan-2-one
CID 79395120
2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide
CID 170610348
(2R,3R)-2,3-bis[2-(dimethylamino)-2-oxoethoxy]-N,N,N',N'-tetramethylbutanediamide
CID 12695224
N,N-dimethyl-2-trimethylsilyloxyacetamide
CID 102264799
[2-(dimethylamino)-2-oxoethyl] 6-hydroxy-2-methylhexanoate
CID 123472845
[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate
CID 134364570
N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]acetamide
CID 134505382

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide?
The IUPAC name of N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide (CID 170609899) is N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide?
The canonical SMILES for N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide is CC(C)C(=O)COCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide?
The InChIKey is PEOAFMNNMNGXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)8(11)5-13-6-9(12)10(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide?
N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide has a molecular weight of 187.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide is sourced from PubChem (CID 170609899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).