2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide

C11H21N3O — CID 56794345

IUPAC2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(CCC#N)CC(C)(C)C
InChIInChI=1S/C11H21N3O/c1-11(2,3)9-14(7-5-6-12)8-10(15)13-4/h5,7-9H2,1-4H3,(H,13,15)
InChIKeyBZAKVQCICXIUTL-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.99
Rot. Bonds5

About 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide

2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide (PubChem CID 56794345) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide
PubChem CID56794345
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(CCC#N)CC(C)(C)C
InChIInChI=1S/C11H21N3O/c1-11(2,3)9-14(7-5-6-12)8-10(15)13-4/h5,7-9H2,1-4H3,(H,13,15)
InChIKeyBZAKVQCICXIUTL-UHFFFAOYSA-N
XLogP0.99
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide?
The IUPAC name of 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide (CID 56794345) is 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide is CNC(=O)CN(CCC#N)CC(C)(C)C.
What is the InChIKey of 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide?
The InChIKey is BZAKVQCICXIUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,3)9-14(7-5-6-12)8-10(15)13-4/h5,7-9H2,1-4H3,(H,13,15).
What are the key properties of 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide?
2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide has a molecular weight of 211.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide is sourced from PubChem (CID 56794345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).