N-(acetylcarbamoyl)-2,2-dimethylbutanamide

C9H16N2O3 — CID 130010844

IUPACN-(acetylcarbamoyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(=O)NC(C)=O
InChIInChI=1S/C9H16N2O3/c1-5-9(3,4)7(13)11-8(14)10-6(2)12/h5H2,1-4H3,(H2,10,11,12,13,14)
InChIKeyHPCSIROWJKJAOQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.79
Rot. Bonds2

About N-(acetylcarbamoyl)-2,2-dimethylbutanamide

N-(acetylcarbamoyl)-2,2-dimethylbutanamide (PubChem CID 130010844) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(acetylcarbamoyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(acetylcarbamoyl)-2,2-dimethylbutanamide
PubChem CID130010844
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-(acetylcarbamoyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(=O)NC(C)=O
InChIInChI=1S/C9H16N2O3/c1-5-9(3,4)7(13)11-8(14)10-6(2)12/h5H2,1-4H3,(H2,10,11,12,13,14)
InChIKeyHPCSIROWJKJAOQ-UHFFFAOYSA-N
XLogP0.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
CID 114618641
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
3,3,5,5-tetramethylheptan-4-one
CID 18520351
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
CID 107866619
N-(acetylcarbamoyl)pentanamide
CID 57354637
2-acetamido-N,2-dimethylbutanamide
CID 71329562
N-(acetylcarbamoyl)carbamoyl iodide
CID 163909859
2,2-dimethyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yl)butanamide
CID 58159243
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185

Frequently Asked Questions

What is the IUPAC name of N-(acetylcarbamoyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(acetylcarbamoyl)-2,2-dimethylbutanamide (CID 130010844) is N-(acetylcarbamoyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(acetylcarbamoyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(acetylcarbamoyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC(=O)NC(C)=O.
What is the InChIKey of N-(acetylcarbamoyl)-2,2-dimethylbutanamide?
The InChIKey is HPCSIROWJKJAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5-9(3,4)7(13)11-8(14)10-6(2)12/h5H2,1-4H3,(H2,10,11,12,13,14).
What are the key properties of N-(acetylcarbamoyl)-2,2-dimethylbutanamide?
N-(acetylcarbamoyl)-2,2-dimethylbutanamide has a molecular weight of 200.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetylcarbamoyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 130010844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).