N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide

C11H20N2O3 — CID 60951663

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-8(14)6-10(16)13(5)7-9(15)12-11(2,3)4/h6-7H2,1-5H3,(H,12,15)
InChIKeyQWFHXBIVYJFRIY-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.34
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide (PubChem CID 60951663) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
PubChem CID60951663
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-8(14)6-10(16)13(5)7-9(15)12-11(2,3)4/h6-7H2,1-5H3,(H,12,15)
InChIKeyQWFHXBIVYJFRIY-UHFFFAOYSA-N
XLogP0.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60936943
6-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
CID 54874830
2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61329426
N-methyl-3-oxo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 54876595
(Z)-4-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55167926
N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119691966
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide
CID 93317901
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide
CID 112725202
2-(1-aminocyclohexyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 64685095
2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 27133312

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide (CID 60951663) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide is CC(=O)CC(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide?
The InChIKey is QWFHXBIVYJFRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(14)6-10(16)13(5)7-9(15)12-11(2,3)4/h6-7H2,1-5H3,(H,12,15).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide has a molecular weight of 228.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide is sourced from PubChem (CID 60951663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).