N-methyl-N-(2-methylpropyl)-2-oxopropanamide

C8H15NO2 — CID 115175418

IUPACN-methyl-N-(2-methylpropyl)-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)CC(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)5-9(4)8(11)7(3)10/h6H,5H2,1-4H3
InChIKeyWPUWUNUVYPJEGV-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds3

About N-methyl-N-(2-methylpropyl)-2-oxopropanamide

N-methyl-N-(2-methylpropyl)-2-oxopropanamide (PubChem CID 115175418) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-2-oxopropanamide
PubChem CID115175418
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-methyl-N-(2-methylpropyl)-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)CC(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)5-9(4)8(11)7(3)10/h6H,5H2,1-4H3
InChIKeyWPUWUNUVYPJEGV-UHFFFAOYSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-2-oxopropanamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-2-oxopropanamide (CID 115175418) is N-methyl-N-(2-methylpropyl)-2-oxopropanamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-2-oxopropanamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-2-oxopropanamide is CC(=O)C(=O)N(C)CC(C)C.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-2-oxopropanamide?
The InChIKey is WPUWUNUVYPJEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)5-9(4)8(11)7(3)10/h6H,5H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-2-oxopropanamide?
N-methyl-N-(2-methylpropyl)-2-oxopropanamide has a molecular weight of 157.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-2-oxopropanamide is sourced from PubChem (CID 115175418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).