2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide

C13H24N2O — CID 83142651

IUPAC2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide
SMILESCC(C)C(C#N)C(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-9(2)11(7-14)12(16)15-8-10(3)13(4,5)6/h9-11H,8H2,1-6H3,(H,15,16)
InChIKeyJLMKEFSYTCPAPF-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.58
Rot. Bonds4

About 2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide

2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide (PubChem CID 83142651) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide
PubChem CID83142651
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide
SMILESCC(C)C(C#N)C(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-9(2)11(7-14)12(16)15-8-10(3)13(4,5)6/h9-11H,8H2,1-6H3,(H,15,16)
InChIKeyJLMKEFSYTCPAPF-UHFFFAOYSA-N
XLogP2.58
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(2,3,3-trimethylbutyl)pentanamide
CID 83141331
3-methyl-2-sulfanyl-N-(2,3,3-trimethylbutyl)butanamide
CID 107034108
2-(methylamino)-N-(2,3,3-trimethylbutyl)propanamide
CID 83143044
2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106842207
2-cyano-3-methyl-N-(2-phenylpropyl)butanamide
CID 113430213
2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide
CID 115188708
2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide
CID 114164878
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
2-cyano-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 107856882
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106034255
2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 63243648

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide?
The IUPAC name of 2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide (CID 83142651) is 2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide?
The canonical SMILES for 2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide is CC(C)C(C#N)C(=O)NCC(C)C(C)(C)C.
What is the InChIKey of 2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide?
The InChIKey is JLMKEFSYTCPAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9(2)11(7-14)12(16)15-8-10(3)13(4,5)6/h9-11H,8H2,1-6H3,(H,15,16).
What are the key properties of 2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide?
2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide has a molecular weight of 224.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide is sourced from PubChem (CID 83142651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).