N-methyl-N-(3-oxobutyl)acetamide

C7H13NO2 — CID 12830531

IUPACN-methyl-N-(3-oxobutyl)acetamide
SMILESCC(=O)CCN(C)C(C)=O
InChIInChI=1S/C7H13NO2/c1-6(9)4-5-8(3)7(2)10/h4-5H2,1-3H3
InChIKeyHLSMAFGRKYSTFU-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.44
Rot. Bonds3

About N-methyl-N-(3-oxobutyl)acetamide

N-methyl-N-(3-oxobutyl)acetamide (PubChem CID 12830531) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-methyl-N-(3-oxobutyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-oxobutyl)acetamide
PubChem CID12830531
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-methyl-N-(3-oxobutyl)acetamide
SMILESCC(=O)CCN(C)C(C)=O
InChIInChI=1S/C7H13NO2/c1-6(9)4-5-8(3)7(2)10/h4-5H2,1-3H3
InChIKeyHLSMAFGRKYSTFU-UHFFFAOYSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-methylacetamide
CID 63391485
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
(E)-N-methyl-N-(3-oxobutyl)but-2-enamide
CID 102410290
4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one
CID 168813653
4-[acetyl(methyl)amino]butanethioic S-acid
CID 57184928
N-[2-(diiodoamino)ethyl]-N-methylacetamide
CID 167185842
N-butyl-N-methylacetamide;ethane
CID 142088805
3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60989976
hexane-2,5-dione
CID 8035
N-methyl-N-(3-oxobutyl)nitramide
CID 119096366
ethane;N-methyl-N-(3-oxopropyl)acetamide
CID 143162499
N-decyl-N-methylacetamide
CID 22114742

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-oxobutyl)acetamide?
The IUPAC name of N-methyl-N-(3-oxobutyl)acetamide (CID 12830531) is N-methyl-N-(3-oxobutyl)acetamide.
What is the SMILES notation for N-methyl-N-(3-oxobutyl)acetamide?
The canonical SMILES for N-methyl-N-(3-oxobutyl)acetamide is CC(=O)CCN(C)C(C)=O.
What is the InChIKey of N-methyl-N-(3-oxobutyl)acetamide?
The InChIKey is HLSMAFGRKYSTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(9)4-5-8(3)7(2)10/h4-5H2,1-3H3.
What are the key properties of N-methyl-N-(3-oxobutyl)acetamide?
N-methyl-N-(3-oxobutyl)acetamide has a molecular weight of 143.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-oxobutyl)acetamide is sourced from PubChem (CID 12830531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).