2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide

C16H20N2O — CID 79878391

IUPAC2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide
SMILESCC1(C)CCCC1NC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-16(2)10-6-9-14(16)18-15(19)13(11-17)12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-10H2,1-2H3,(H,18,19)
InChIKeyHKWDSNDTHAKNNJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.99
Rot. Bonds3

About 2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide

2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide (PubChem CID 79878391) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide
PubChem CID79878391
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide
SMILESCC1(C)CCCC1NC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-16(2)10-6-9-14(16)18-15(19)13(11-17)12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-10H2,1-2H3,(H,18,19)
InChIKeyHKWDSNDTHAKNNJ-UHFFFAOYSA-N
XLogP2.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide (CID 79878391) is 2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide is CC1(C)CCCC1NC(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide?
The InChIKey is HKWDSNDTHAKNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2)10-6-9-14(16)18-15(19)13(11-17)12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide?
2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide has a molecular weight of 256.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide is sourced from PubChem (CID 79878391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).