N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide

C9H16N2O2 — CID 139799184

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C9H16N2O2/c1-7(2)9(3,6-10)11-8(12)5-13-4/h7H,5H2,1-4H3,(H,11,12)
InChIKeyVPHBBFVFXNSZPB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.69
Rot. Bonds4

About N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide

N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide (PubChem CID 139799184) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide
PubChem CID139799184
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C9H16N2O2/c1-7(2)9(3,6-10)11-8(12)5-13-4/h7H,5H2,1-4H3,(H,11,12)
InChIKeyVPHBBFVFXNSZPB-UHFFFAOYSA-N
XLogP0.69
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide (CID 139799184) is N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide is COCC(=O)NC(C)(C#N)C(C)C.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide?
The InChIKey is VPHBBFVFXNSZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(2)9(3,6-10)11-8(12)5-13-4/h7H,5H2,1-4H3,(H,11,12).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide has a molecular weight of 184.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide is sourced from PubChem (CID 139799184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).