N-(1-cyano-2-methylbutyl)acetamide

C8H14N2O — CID 538622

IUPACN-(1-cyano-2-methylbutyl)acetamide
SMILESCCC(C)C(C#N)NC(C)=O
InChIInChI=1S/C8H14N2O/c1-4-6(2)8(5-9)10-7(3)11/h6,8H,4H2,1-3H3,(H,10,11)
InChIKeyZCFMMHOSNYCZQZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.06
Rot. Bonds3

About N-(1-cyano-2-methylbutyl)acetamide

N-(1-cyano-2-methylbutyl)acetamide (PubChem CID 538622) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(1-cyano-2-methylbutyl)acetamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylbutyl)acetamide
PubChem CID538622
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(1-cyano-2-methylbutyl)acetamide
SMILESCCC(C)C(C#N)NC(C)=O
InChIInChI=1S/C8H14N2O/c1-4-6(2)8(5-9)10-7(3)11/h6,8H,4H2,1-3H3,(H,10,11)
InChIKeyZCFMMHOSNYCZQZ-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

ethyl (2S)-2-acetamidopropanoate
CID 11805045
2-(2-acetamidopropanoylamino)-3-methylpentanoic acid
CID 19431410
N-(1-cyano-2-methylpropyl)-2-methylbutanamide
CID 63928753
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
methyl (2R)-2-acetamidopropanoate
CID 6951031
N-[(3S,4S)-3,6-dimethyl-5-oxooctan-4-yl]acetamide
CID 139337569
ethoxycarbonyl 2-acetamidopropanoate
CID 54522375
N-(1-cyano-2-methoxyethyl)acetamide
CID 127014883
N-[(2R)-1-cyanopropan-2-yl]acetamide
CID 55299754
2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide
CID 23276427
(2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide
CID 71558799
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylbutyl)acetamide?
The IUPAC name of N-(1-cyano-2-methylbutyl)acetamide (CID 538622) is N-(1-cyano-2-methylbutyl)acetamide.
What is the SMILES notation for N-(1-cyano-2-methylbutyl)acetamide?
The canonical SMILES for N-(1-cyano-2-methylbutyl)acetamide is CCC(C)C(C#N)NC(C)=O.
What is the InChIKey of N-(1-cyano-2-methylbutyl)acetamide?
The InChIKey is ZCFMMHOSNYCZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-6(2)8(5-9)10-7(3)11/h6,8H,4H2,1-3H3,(H,10,11).
What are the key properties of N-(1-cyano-2-methylbutyl)acetamide?
N-(1-cyano-2-methylbutyl)acetamide 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 N-(1-cyano-2-methylbutyl)acetamide is sourced from PubChem (CID 538622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).