N-(3-methyl-2-oxobutyl)acetamide

C7H13NO2 — CID 536137

IUPACN-(3-methyl-2-oxobutyl)acetamide
SMILESCC(=O)NCC(=O)C(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)7(10)4-8-6(3)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyPEDOCCNHANAHSH-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.35
Rot. Bonds3

About N-(3-methyl-2-oxobutyl)acetamide

N-(3-methyl-2-oxobutyl)acetamide (PubChem CID 536137) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(3-methyl-2-oxobutyl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxobutyl)acetamide
PubChem CID536137
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(3-methyl-2-oxobutyl)acetamide
SMILESCC(=O)NCC(=O)C(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)7(10)4-8-6(3)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyPEDOCCNHANAHSH-UHFFFAOYSA-N
XLogP0.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methyl-2-oxopropyl)acetamide
CID 97923
N-Isopentylacetamide
CID 98643
n-(2-Methylbutyl)acetamide
CID 291446
N-[(1S)-1-methyl-2-oxobutyl]acetamide
CID 55286589
N-(2-oxopropyl)acetamide
CID 82185
N-acetonylpropanamide
CID 23550155
N-Isopropyl-2-oxo-propionamide
CID 12710767
N-[(2R)-3-oxobutan-2-yl]acetamide
CID 7000101
N-(2-methylbutyl)-3-oxobutanamide
CID 12920958
2-oxo-N-propyl-propanamide
CID 13291521
N-(3-Oxobutyl)acetamide
CID 21426084
N-[(2R)-3-oxopentan-2-yl]acetamide
CID 88964473

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxobutyl)acetamide?
The IUPAC name of N-(3-methyl-2-oxobutyl)acetamide (CID 536137) is N-(3-methyl-2-oxobutyl)acetamide.
What is the SMILES notation for N-(3-methyl-2-oxobutyl)acetamide?
The canonical SMILES for N-(3-methyl-2-oxobutyl)acetamide is CC(=O)NCC(=O)C(C)C.
What is the InChIKey of N-(3-methyl-2-oxobutyl)acetamide?
The InChIKey is PEDOCCNHANAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)7(10)4-8-6(3)9/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of N-(3-methyl-2-oxobutyl)acetamide?
N-(3-methyl-2-oxobutyl)acetamide has a molecular weight of 143.19 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxobutyl)acetamide is sourced from PubChem (CID 536137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).