2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide

C13H25N3O — CID 65257303

IUPAC2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide
SMILESCCCCN(CCCC(C)(C)C#N)CC(N)=O
InChIInChI=1S/C13H25N3O/c1-4-5-8-16(10-12(15)17)9-6-7-13(2,3)11-14/h4-10H2,1-3H3,(H2,15,17)
InChIKeyUCPUICVNBOSNOE-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.90
Rot. Bonds9

About 2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide

2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide (PubChem CID 65257303) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide
PubChem CID65257303
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide
SMILESCCCCN(CCCC(C)(C)C#N)CC(N)=O
InChIInChI=1S/C13H25N3O/c1-4-5-8-16(10-12(15)17)9-6-7-13(2,3)11-14/h4-10H2,1-3H3,(H2,15,17)
InChIKeyUCPUICVNBOSNOE-UHFFFAOYSA-N
XLogP1.90
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-cyano-3-methylbutyl)-methylamino]acetamide
CID 65251652
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate
CID 113226677
2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
CID 65253078
5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 115672467
2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
CID 65253080
methyl 3-[(4-cyano-4-methylpentyl)-ethylamino]propanoate
CID 65254927
butyl 4-cyano-4-methylpentanoate
CID 123643608
2-[(4-cyano-4-methylpentyl)amino]acetamide
CID 65256262
3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid
CID 82326746
4-(dibutylamino)butanamide
CID 57071614
5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile
CID 65257246

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide?
The IUPAC name of 2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide (CID 65257303) is 2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide?
The canonical SMILES for 2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide is CCCCN(CCCC(C)(C)C#N)CC(N)=O.
What is the InChIKey of 2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide?
The InChIKey is UCPUICVNBOSNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-5-8-16(10-12(15)17)9-6-7-13(2,3)11-14/h4-10H2,1-3H3,(H2,15,17).
What are the key properties of 2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide?
2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide has a molecular weight of 239.36 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide is sourced from PubChem (CID 65257303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).