2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

C12H25N3O2 — CID 86908596

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)13-10(16)7-15(6)8-11(17)14-12(3,4)5/h9H,7-8H2,1-6H3,(H,13,16)(H,14,17)
InChIKeyVDDTWVHECSPPDC-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.36
Rot. Bonds5

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 86908596) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID86908596
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)13-10(16)7-15(6)8-11(17)14-12(3,4)5/h9H,7-8H2,1-6H3,(H,13,16)(H,14,17)
InChIKeyVDDTWVHECSPPDC-UHFFFAOYSA-N
XLogP0.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 130268507
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide
CID 4962723
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 86908931
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8767844
N'-tert-butyl-N-propan-2-ylundecanediamide
CID 161329550
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8768753
2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60677035
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 8768418
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
CID 86919184
2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 114328087
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide
CID 93317901

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 86908596) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is VDDTWVHECSPPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)13-10(16)7-15(6)8-11(17)14-12(3,4)5/h9H,7-8H2,1-6H3,(H,13,16)(H,14,17).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 243.35 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 86908596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).