ethane;N-methyl-2-oxobutanamide

C9H21NO2 — CID 143884065

IUPACethane;N-methyl-2-oxobutanamide
SMILESCC.CC.CCC(=O)C(=O)NC
InChIInChI=1S/C5H9NO2.2C2H6/c1-3-4(7)5(8)6-2;2*1-2/h3H2,1-2H3,(H,6,8);2*1-2H3
InChIKeyBDLXQQNZPNKNKU-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.76
Rot. Bonds2

About ethane;N-methyl-2-oxobutanamide

ethane;N-methyl-2-oxobutanamide (PubChem CID 143884065) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;N-methyl-2-oxobutanamide.

Molecular Properties

Compound Nameethane;N-methyl-2-oxobutanamide
PubChem CID143884065
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Nameethane;N-methyl-2-oxobutanamide
SMILESCC.CC.CCC(=O)C(=O)NC
InChIInChI=1S/C5H9NO2.2C2H6/c1-3-4(7)5(8)6-2;2*1-2/h3H2,1-2H3,(H,6,8);2*1-2H3
InChIKeyBDLXQQNZPNKNKU-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-methyl-2-oxopropanamide
CID 88958947
N,N'-di((113C)methyl)oxamide
CID 169438737
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide
CID 123938959
CID 160664038
CID 160664038
N,3-dimethyl-2-propylpent-2-enamide
CID 175801698
N-aminooxy-2-oxobutanamide;hydrochloride
CID 174371890
azane;N-methyl-2-methylidenepentanamide
CID 174850650
N-methylpropanamide;propane
CID 91316585
ethane;N'-methyloxamide
CID 176938398
N-(2-methoxyethyl)-2-oxobutanamide
CID 141125375
N,2-dimethylprop-2-enamide;ethane
CID 142291054

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-oxobutanamide?
The IUPAC name of ethane;N-methyl-2-oxobutanamide (CID 143884065) is ethane;N-methyl-2-oxobutanamide.
What is the SMILES notation for ethane;N-methyl-2-oxobutanamide?
The canonical SMILES for ethane;N-methyl-2-oxobutanamide is CC.CC.CCC(=O)C(=O)NC.
What is the InChIKey of ethane;N-methyl-2-oxobutanamide?
The InChIKey is BDLXQQNZPNKNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.2C2H6/c1-3-4(7)5(8)6-2;2*1-2/h3H2,1-2H3,(H,6,8);2*1-2H3.
What are the key properties of ethane;N-methyl-2-oxobutanamide?
ethane;N-methyl-2-oxobutanamide has a molecular weight of 175.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-oxobutanamide is sourced from PubChem (CID 143884065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).