N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide

C10H15NO2 — CID 130709523

IUPACN-(3,3-dimethyl-2-oxobutyl)but-2-ynamide
SMILESCC#CC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C10H15NO2/c1-5-6-9(13)11-7-8(12)10(2,3)4/h7H2,1-4H3,(H,11,13)
InChIKeyXLJJNBHIWYABET-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.74
Rot. Bonds2

About N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide

N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide (PubChem CID 130709523) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)but-2-ynamide
PubChem CID130709523
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)but-2-ynamide
SMILESCC#CC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C10H15NO2/c1-5-6-9(13)11-7-8(12)10(2,3)4/h7H2,1-4H3,(H,11,13)
InChIKeyXLJJNBHIWYABET-UHFFFAOYSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroprop-2-enyl)but-2-ynamide
CID 106741496
N-(2-cyano-2-methylpropyl)but-2-ynamide
CID 130621104
tert-butyl N-[3-(but-2-ynoylamino)propyl]carbamate
CID 178120004
N-tert-butylbut-2-ynamide
CID 106741322
N-(3,3-dimethyl-2-oxobutyl)-2,3,4,5,6-pentafluorobenzamide
CID 64991463
N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide
CID 106168461
N-[2-(carbamoylamino)ethyl]but-2-ynamide
CID 130637362
N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 89037508
N-pent-3-ynylbut-2-ynamide
CID 107992893
3-(but-2-ynoylamino)propanoic acid
CID 107986385
1-(3,3-dimethyl-2-oxobutyl)-3-propylurea
CID 60733420
N-(3-cyanopropyl)but-2-ynamide
CID 130918641

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide (CID 130709523) is N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide is CC#CC(=O)NCC(=O)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide?
The InChIKey is XLJJNBHIWYABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-6-9(13)11-7-8(12)10(2,3)4/h7H2,1-4H3,(H,11,13).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide?
N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide has a molecular weight of 181.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide is sourced from PubChem (CID 130709523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).