2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide

C12H23N3O — CID 65251715

IUPAC2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide
SMILESCCCCN(CCC(C)(C)C#N)CC(N)=O
InChIInChI=1S/C12H23N3O/c1-4-5-7-15(9-11(14)16)8-6-12(2,3)10-13/h4-9H2,1-3H3,(H2,14,16)
InChIKeyVDFUIRWPQJPQLV-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.51
Rot. Bonds8

About 2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide

2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide (PubChem CID 65251715) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide
PubChem CID65251715
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide
SMILESCCCCN(CCC(C)(C)C#N)CC(N)=O
InChIInChI=1S/C12H23N3O/c1-4-5-7-15(9-11(14)16)8-6-12(2,3)10-13/h4-9H2,1-3H3,(H2,14,16)
InChIKeyVDFUIRWPQJPQLV-UHFFFAOYSA-N
XLogP1.51
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide?
The IUPAC name of 2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide (CID 65251715) is 2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide?
The canonical SMILES for 2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide is CCCCN(CCC(C)(C)C#N)CC(N)=O.
What is the InChIKey of 2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide?
The InChIKey is VDFUIRWPQJPQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-5-7-15(9-11(14)16)8-6-12(2,3)10-13/h4-9H2,1-3H3,(H2,14,16).
What are the key properties of 2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide?
2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide has a molecular weight of 225.34 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(3-cyano-3-methylbutyl)amino]acetamide is sourced from PubChem (CID 65251715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).