N,N,2,2-tetramethyl-4-oxobutanamide

C8H15NO2 — CID 141082927

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

About N,N,2,2-tetramethyl-4-oxobutanamide

N,N,2,2-tetramethyl-4-oxobutanamide (PubChem CID 141082927) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-4-oxobutanamide.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-4-oxobutanamide
PubChem CID141082927
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN,N,2,2-tetramethyl-4-oxobutanamide
SMILESCN(C)C(=O)C(C)(C)CC=O
InChIInChI=1S/C8H15NO2/c1-8(2,5-6-10)7(11)9(3)4/h6H,5H2,1-4H3
InChIKeyVGICPEQEVCKETD-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': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-4-oxobutanamide?
The IUPAC name of N,N,2,2-tetramethyl-4-oxobutanamide (CID 141082927) is N,N,2,2-tetramethyl-4-oxobutanamide.
What is the SMILES notation for N,N,2,2-tetramethyl-4-oxobutanamide?
The canonical SMILES for N,N,2,2-tetramethyl-4-oxobutanamide is CN(C)C(=O)C(C)(C)CC=O.
What is the InChIKey of N,N,2,2-tetramethyl-4-oxobutanamide?
The InChIKey is VGICPEQEVCKETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,5-6-10)7(11)9(3)4/h6H,5H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-4-oxobutanamide?
N,N,2,2-tetramethyl-4-oxobutanamide 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,N,2,2-tetramethyl-4-oxobutanamide is sourced from PubChem (CID 141082927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).