2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide

C9H20N2O3 — CID 170154459

IUPAC2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide
SMILESCN(CC(O)O)C(=O)CNC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-9(2,3)10-5-7(12)11(4)6-8(13)14/h8,10,13-14H,5-6H2,1-4H3
InChIKeyOZYIYUNCVHSQSG-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.86
Rot. Bonds4

About 2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide

2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide (PubChem CID 170154459) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide
PubChem CID170154459
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide
SMILESCN(CC(O)O)C(=O)CNC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-9(2,3)10-5-7(12)11(4)6-8(13)14/h8,10,13-14H,5-6H2,1-4H3
InChIKeyOZYIYUNCVHSQSG-UHFFFAOYSA-N
XLogP-0.86
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 103722241
2-(tert-butylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79380358
3-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
CID 79256387
N-[1-[[2-(tert-butylamino)acetyl]-methylamino]-4,4-dimethyl-3-oxopentan-2-yl]-4,4-dimethyl-3-oxopentanamide
CID 167423940
2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 78926215
2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107199146
2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
CID 79256717
2-(tert-butylamino)-N,N-diethylacetamide
CID 28586539
2-[[2-(tert-butylamino)acetyl]-methylamino]-2-methylpropanoic acid
CID 79257129
N-[2-[4-[2-[[2-(tert-butylamino)acetyl]-methylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 174193432
2-(tert-butylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79314656
3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid
CID 79257299

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide (CID 170154459) is 2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide is CN(CC(O)O)C(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide?
The InChIKey is OZYIYUNCVHSQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,3)10-5-7(12)11(4)6-8(13)14/h8,10,13-14H,5-6H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide?
2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide has a molecular weight of 204.27 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 170154459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).