3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide

C12H25N3O2 — CID 103722241

IUPAC3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(=O)CNC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-9(11(17)13-5)8-15(6)10(16)7-14-12(2,3)4/h9,14H,7-8H2,1-6H3,(H,13,17)
InChIKeyAAYTZMWRUNPWDR-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.22
Rot. Bonds5

About 3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide

3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 103722241) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID103722241
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(=O)CNC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-9(11(17)13-5)8-15(6)10(16)7-14-12(2,3)4/h9,14H,7-8H2,1-6H3,(H,13,17)
InChIKeyAAYTZMWRUNPWDR-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-[methyl-[2-(methylamino)acetyl]amino]propanamide
CID 103812841
2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide
CID 170154459
4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 103812844
N,2-dimethyl-3-[methyl-[2-methyl-2-(methylamino)propanoyl]amino]propanamide
CID 106915340
tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106812542
3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 106915366
3-amino-N,2,2-trimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]propanamide
CID 103812840
7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide
CID 103812823
2-(tert-butylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79380358
N-[1-[[2-(tert-butylamino)acetyl]-methylamino]-4,4-dimethyl-3-oxopentan-2-yl]-4,4-dimethyl-3-oxopentanamide
CID 167423940
3-hydroxy-3-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917289
N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
CID 106915065

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide (CID 103722241) is 3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)C(=O)CNC(C)(C)C.
What is the InChIKey of 3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is AAYTZMWRUNPWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(11(17)13-5)8-15(6)10(16)7-14-12(2,3)4/h9,14H,7-8H2,1-6H3,(H,13,17).
What are the key properties of 3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 103722241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).