2-[butyl(1-cyanobutan-2-yl)amino]acetamide

C11H21N3O — CID 55207090

IUPAC2-[butyl(1-cyanobutan-2-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)C(CC)CC#N
InChIInChI=1S/C11H21N3O/c1-3-5-8-14(9-11(13)15)10(4-2)6-7-12/h10H,3-6,8-9H2,1-2H3,(H2,13,15)
InChIKeyTZHLVKMRNSLPRJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.27
Rot. Bonds8

About 2-[butyl(1-cyanobutan-2-yl)amino]acetamide

2-[butyl(1-cyanobutan-2-yl)amino]acetamide (PubChem CID 55207090) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[butyl(1-cyanobutan-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl(1-cyanobutan-2-yl)amino]acetamide
PubChem CID55207090
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[butyl(1-cyanobutan-2-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)C(CC)CC#N
InChIInChI=1S/C11H21N3O/c1-3-5-8-14(9-11(13)15)10(4-2)6-7-12/h10H,3-6,8-9H2,1-2H3,(H2,13,15)
InChIKeyTZHLVKMRNSLPRJ-UHFFFAOYSA-N
XLogP1.27
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(1-cyanobutan-2-yl)amino]acetamide?
The IUPAC name of 2-[butyl(1-cyanobutan-2-yl)amino]acetamide (CID 55207090) is 2-[butyl(1-cyanobutan-2-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl(1-cyanobutan-2-yl)amino]acetamide?
The canonical SMILES for 2-[butyl(1-cyanobutan-2-yl)amino]acetamide is CCCCN(CC(N)=O)C(CC)CC#N.
What is the InChIKey of 2-[butyl(1-cyanobutan-2-yl)amino]acetamide?
The InChIKey is TZHLVKMRNSLPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-5-8-14(9-11(13)15)10(4-2)6-7-12/h10H,3-6,8-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-[butyl(1-cyanobutan-2-yl)amino]acetamide?
2-[butyl(1-cyanobutan-2-yl)amino]acetamide has a molecular weight of 211.31 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(1-cyanobutan-2-yl)amino]acetamide is sourced from PubChem (CID 55207090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).