N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide

C9H18N2O2 — CID 143641947

IUPACN-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NCC(N)=O)C(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6(9(2,3)4)8(13)11-5-7(10)12/h6H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyHBCVLEAPFCUGKN-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.27
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide

N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide (PubChem CID 143641947) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
PubChem CID143641947
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NCC(N)=O)C(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6(9(2,3)4)8(13)11-5-7(10)12/h6H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyHBCVLEAPFCUGKN-UHFFFAOYSA-N
XLogP0.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane
CID 143855257
N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
CID 88988167
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888
acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
CID 88648065
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide
CID 143855700
N-(2-amino-2-oxoethyl)-2-cyclopropylpropanamide
CID 79505889
(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
CID 138691369
N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
CID 165448067

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide (CID 143641947) is N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide is CC(C(=O)NCC(N)=O)C(C)(C)C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide?
The InChIKey is HBCVLEAPFCUGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(9(2,3)4)8(13)11-5-7(10)12/h6H,5H2,1-4H3,(H2,10,12)(H,11,13).
What are the key properties of N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide?
N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide has a molecular weight of 186.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide is sourced from PubChem (CID 143641947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).