2-oxo-N-(2,2,3-trimethylbutyl)acetamide

C9H17NO2 — CID 115166789

IUPAC2-oxo-N-(2,2,3-trimethylbutyl)acetamide
SMILESCC(C)C(C)(C)CNC(=O)C=O
InChIInChI=1S/C9H17NO2/c1-7(2)9(3,4)6-10-8(12)5-11/h5,7H,6H2,1-4H3,(H,10,12)
InChIKeyHNFFPBARBZAEDH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.98
Rot. Bonds4

About 2-oxo-N-(2,2,3-trimethylbutyl)acetamide

2-oxo-N-(2,2,3-trimethylbutyl)acetamide (PubChem CID 115166789) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-oxo-N-(2,2,3-trimethylbutyl)acetamide.

Molecular Properties

Compound Name2-oxo-N-(2,2,3-trimethylbutyl)acetamide
PubChem CID115166789
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-oxo-N-(2,2,3-trimethylbutyl)acetamide
SMILESCC(C)C(C)(C)CNC(=O)C=O
InChIInChI=1S/C9H17NO2/c1-7(2)9(3,4)6-10-8(12)5-11/h5,7H,6H2,1-4H3,(H,10,12)
InChIKeyHNFFPBARBZAEDH-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'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
3,3-dimethyl-4-oxo-4-(2,2,3-trimethylbutylamino)butanoic acid
CID 115164917
ethyl 3-oxo-3-(2,2,3-trimethylbutylamino)propanoate
CID 115138675
tert-butyl 2-amino-3-(oxaldehydoylamino)propanoate
CID 118604747
2-methyl-4-oxo-2-propan-2-yl-4-(2,2,3-trimethylbutylamino)butanoic acid
CID 114099256
tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate
CID 102610042
2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-ol
CID 102670964
6-amino-4-methyl-N-(2,2,3-trimethylbutyl)hexanamide
CID 114100113
2-(cyclopentylamino)-N-(2,2,3-trimethylbutyl)acetamide
CID 114100118
ethyl 2-(2,2,3-trimethylbutylamino)acetate
CID 107095555
2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide
CID 114102273
N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166817

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2,2,3-trimethylbutyl)acetamide?
The IUPAC name of 2-oxo-N-(2,2,3-trimethylbutyl)acetamide (CID 115166789) is 2-oxo-N-(2,2,3-trimethylbutyl)acetamide.
What is the SMILES notation for 2-oxo-N-(2,2,3-trimethylbutyl)acetamide?
The canonical SMILES for 2-oxo-N-(2,2,3-trimethylbutyl)acetamide is CC(C)C(C)(C)CNC(=O)C=O.
What is the InChIKey of 2-oxo-N-(2,2,3-trimethylbutyl)acetamide?
The InChIKey is HNFFPBARBZAEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(3,4)6-10-8(12)5-11/h5,7H,6H2,1-4H3,(H,10,12).
What are the key properties of 2-oxo-N-(2,2,3-trimethylbutyl)acetamide?
2-oxo-N-(2,2,3-trimethylbutyl)acetamide 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 2-oxo-N-(2,2,3-trimethylbutyl)acetamide is sourced from PubChem (CID 115166789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).