2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide

C12H25N3O2 — CID 113160459

IUPAC2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-10(16)15(8-7-14(5)6)9-11(17)13-12(2,3)4/h7-9H2,1-6H3,(H,13,17)
InChIKeyZIGJBRJJHFRKNJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.31
Rot. Bonds5

About 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide (PubChem CID 113160459) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide
PubChem CID113160459
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-10(16)15(8-7-14(5)6)9-11(17)13-12(2,3)4/h7-9H2,1-6H3,(H,13,17)
InChIKeyZIGJBRJJHFRKNJ-UHFFFAOYSA-N
XLogP0.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide (CID 113160459) is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide is CC(=O)N(CCN(C)C)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide?
The InChIKey is ZIGJBRJJHFRKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(16)15(8-7-14(5)6)9-11(17)13-12(2,3)4/h7-9H2,1-6H3,(H,13,17).
What are the key properties of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide?
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide has a molecular weight of 243.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide is sourced from PubChem (CID 113160459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).