N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide

C13H25N3O — CID 54940342

IUPACN-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CCC#N)CC(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O/c1-11(2)9-16(8-6-7-14)10-12(17)15-13(3,4)5/h11H,6,8-10H2,1-5H3,(H,15,17)
InChIKeyAYTVZXYLLKLXPT-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.77
Rot. Bonds6

About N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide

N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide (PubChem CID 54940342) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide
PubChem CID54940342
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CCC#N)CC(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O/c1-11(2)9-16(8-6-7-14)10-12(17)15-13(3,4)5/h11H,6,8-10H2,1-5H3,(H,15,17)
InChIKeyAYTVZXYLLKLXPT-UHFFFAOYSA-N
XLogP1.77
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-cyanoethyl(2-methylpropyl)amino]-2,2-dimethylpropanoic acid
CID 79623580
2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
CID 60969371
3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile
CID 54940259
N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
CID 111462190
3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 62052823
3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile
CID 62052627
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898
3-[2-methylpropyl-(2-oxo-3-phenylpropyl)amino]propanenitrile
CID 62051467
3-[[2-(4-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 60649770
4-[2-cyanoethyl(2-methylpropyl)amino]-3-hydroxybutanoic acid
CID 82770891
5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile
CID 55028946
3-[2-methylpropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
CID 63900625

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide (CID 54940342) is N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide is CC(C)CN(CCC#N)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide?
The InChIKey is AYTVZXYLLKLXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)9-16(8-6-7-14)10-12(17)15-13(3,4)5/h11H,6,8-10H2,1-5H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide?
N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide has a molecular weight of 239.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 54940342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).