N-ethyl-2,2,3-trimethyl-4-oxobutanamide

C9H17NO2 — CID 143012316

IUPACN-ethyl-2,2,3-trimethyl-4-oxobutanamide
SMILESCCNC(=O)C(C)(C)C(C)C=O
InChIInChI=1S/C9H17NO2/c1-5-10-8(12)9(3,4)7(2)6-11/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyUVIFLXGTZPUGTI-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.98
Rot. Bonds4

About N-ethyl-2,2,3-trimethyl-4-oxobutanamide

N-ethyl-2,2,3-trimethyl-4-oxobutanamide (PubChem CID 143012316) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-ethyl-2,2,3-trimethyl-4-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-2,2,3-trimethyl-4-oxobutanamide
PubChem CID143012316
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-ethyl-2,2,3-trimethyl-4-oxobutanamide
SMILESCCNC(=O)C(C)(C)C(C)C=O
InChIInChI=1S/C9H17NO2/c1-5-10-8(12)9(3,4)7(2)6-11/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyUVIFLXGTZPUGTI-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.98
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-ethyl-2,2,3-trimethyl-4-oxobutanamide?
The IUPAC name of N-ethyl-2,2,3-trimethyl-4-oxobutanamide (CID 143012316) is N-ethyl-2,2,3-trimethyl-4-oxobutanamide.
What is the SMILES notation for N-ethyl-2,2,3-trimethyl-4-oxobutanamide?
The canonical SMILES for N-ethyl-2,2,3-trimethyl-4-oxobutanamide is CCNC(=O)C(C)(C)C(C)C=O.
What is the InChIKey of N-ethyl-2,2,3-trimethyl-4-oxobutanamide?
The InChIKey is UVIFLXGTZPUGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-10-8(12)9(3,4)7(2)6-11/h6-7H,5H2,1-4H3,(H,10,12).
What are the key properties of N-ethyl-2,2,3-trimethyl-4-oxobutanamide?
N-ethyl-2,2,3-trimethyl-4-oxobutanamide has a molecular weight of 171.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3-trimethyl-4-oxobutanamide is sourced from PubChem (CID 143012316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).