3-cyano-N-propan-2-ylbutanamide

C8H14N2O — CID 82111212

IUPAC3-cyano-N-propan-2-ylbutanamide
SMILESCC(C#N)CC(=O)NC(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)10-8(11)4-7(3)5-9/h6-7H,4H2,1-3H3,(H,10,11)
InChIKeyTVDFPFMOGDCFED-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.06
Rot. Bonds3

About 3-cyano-N-propan-2-ylbutanamide

3-cyano-N-propan-2-ylbutanamide (PubChem CID 82111212) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-cyano-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-cyano-N-propan-2-ylbutanamide
PubChem CID82111212
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-cyano-N-propan-2-ylbutanamide
SMILESCC(C#N)CC(=O)NC(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)10-8(11)4-7(3)5-9/h6-7H,4H2,1-3H3,(H,10,11)
InChIKeyTVDFPFMOGDCFED-UHFFFAOYSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(2-methylpropyl)butanamide
CID 82111297
3-cyano-N-propylbutanamide
CID 82111211
3,3-difluoro-N-propan-2-ylpropanamide
CID 177328037
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide
CID 66432831
2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60670289
3-cyano-N-(2,4,6-trimethylphenyl)butanamide
CID 82115707
3-cyano-N-(4-propan-2-ylphenyl)butanamide
CID 82115706
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60646285
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
3-cyano-N-(3,4-dimethylphenyl)butanamide
CID 82113806
2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60677035

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-propan-2-ylbutanamide?
The IUPAC name of 3-cyano-N-propan-2-ylbutanamide (CID 82111212) is 3-cyano-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-cyano-N-propan-2-ylbutanamide?
The canonical SMILES for 3-cyano-N-propan-2-ylbutanamide is CC(C#N)CC(=O)NC(C)C.
What is the InChIKey of 3-cyano-N-propan-2-ylbutanamide?
The InChIKey is TVDFPFMOGDCFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)10-8(11)4-7(3)5-9/h6-7H,4H2,1-3H3,(H,10,11).
What are the key properties of 3-cyano-N-propan-2-ylbutanamide?
3-cyano-N-propan-2-ylbutanamide has a molecular weight of 154.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-propan-2-ylbutanamide is sourced from PubChem (CID 82111212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).