N-tert-butyl-3-methyl-4-oxobutanamide

C9H17NO2 — CID 143840243

IUPACN-tert-butyl-3-methyl-4-oxobutanamide
SMILESCC(C=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7(6-11)5-8(12)10-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyFZBPPRTVROASGO-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds3

About N-tert-butyl-3-methyl-4-oxobutanamide

N-tert-butyl-3-methyl-4-oxobutanamide (PubChem CID 143840243) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-4-oxobutanamide
PubChem CID143840243
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-tert-butyl-3-methyl-4-oxobutanamide
SMILESCC(C=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7(6-11)5-8(12)10-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyFZBPPRTVROASGO-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
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-tert-butyl-3-methyl-4-oxobutanamide?
The IUPAC name of N-tert-butyl-3-methyl-4-oxobutanamide (CID 143840243) is N-tert-butyl-3-methyl-4-oxobutanamide.
What is the SMILES notation for N-tert-butyl-3-methyl-4-oxobutanamide?
The canonical SMILES for N-tert-butyl-3-methyl-4-oxobutanamide is CC(C=O)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-4-oxobutanamide?
The InChIKey is FZBPPRTVROASGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(6-11)5-8(12)10-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,12).
What are the key properties of N-tert-butyl-3-methyl-4-oxobutanamide?
N-tert-butyl-3-methyl-4-oxobutanamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-4-oxobutanamide is sourced from PubChem (CID 143840243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).