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

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Related Compounds

N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149833
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide
CID 2113270
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 60951663
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide
CID 113160577
N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138136
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113160407
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide
CID 113160764
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113160562
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]propanamide
CID 113053508
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117461
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557

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).