N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide

C8H16N2O3 — CID 112550922

IUPACN-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NOCC(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)4-7(12)10-13-5-6(9)11/h4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyYIMXWXHFVNOVRK-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.04
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide

N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide (PubChem CID 112550922) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide
PubChem CID112550922
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NOCC(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)4-7(12)10-13-5-6(9)11/h4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyYIMXWXHFVNOVRK-UHFFFAOYSA-N
XLogP-0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 112672362
N-(2-amino-2-oxoethoxy)butanamide
CID 112550491
2-[(2-chloroacetyl)amino]oxyacetamide
CID 112673327
2-[(2-bromoacetyl)amino]oxyacetamide
CID 112673326
2-[(2-ethoxyacetyl)amino]oxyacetamide
CID 112550612
2-[(2-methylsulfanylacetyl)amino]oxyacetamide
CID 112550699
N-(2-amino-2-oxoethoxy)-2-methyl-2-(methylamino)propanamide
CID 112674056
N-(2-amino-2-oxoethoxy)pentanamide
CID 112550822
N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide
CID 112551095
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
CID 112674083
4-amino-N-(2-amino-2-oxoethoxy)butanamide
CID 112674157
3,3-dimethylbutanamide;2-methanidyl-2-methylpropane;yttrium
CID 154649078

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide (CID 112550922) is N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NOCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide?
The InChIKey is YIMXWXHFVNOVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)4-7(12)10-13-5-6(9)11/h4-5H2,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide?
N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide has a molecular weight of 188.23 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide is sourced from PubChem (CID 112550922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).