N-(1-cyanoethyl)-2-phenylacetamide

C11H12N2O — CID 61120840

IUPACN-(1-cyanoethyl)-2-phenylacetamide
SMILESCC(C#N)NC(=O)Cc1ccccc1
InChIInChI=1S/C11H12N2O/c1-9(8-12)13-11(14)7-10-5-3-2-4-6-10/h2-6,9H,7H2,1H3,(H,13,14)
InChIKeyLYDBSSJYCNCHGP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.26
Rot. Bonds3

About N-(1-cyanoethyl)-2-phenylacetamide

N-(1-cyanoethyl)-2-phenylacetamide (PubChem CID 61120840) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(1-cyanoethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-2-phenylacetamide
PubChem CID61120840
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-(1-cyanoethyl)-2-phenylacetamide
SMILESCC(C#N)NC(=O)Cc1ccccc1
InChIInChI=1S/C11H12N2O/c1-9(8-12)13-11(14)7-10-5-3-2-4-6-10/h2-6,9H,7H2,1H3,(H,13,14)
InChIKeyLYDBSSJYCNCHGP-UHFFFAOYSA-N
XLogP1.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-2-phenylacetamide?
The IUPAC name of N-(1-cyanoethyl)-2-phenylacetamide (CID 61120840) is N-(1-cyanoethyl)-2-phenylacetamide.
What is the SMILES notation for N-(1-cyanoethyl)-2-phenylacetamide?
The canonical SMILES for N-(1-cyanoethyl)-2-phenylacetamide is CC(C#N)NC(=O)Cc1ccccc1.
What is the InChIKey of N-(1-cyanoethyl)-2-phenylacetamide?
The InChIKey is LYDBSSJYCNCHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9(8-12)13-11(14)7-10-5-3-2-4-6-10/h2-6,9H,7H2,1H3,(H,13,14).
What are the key properties of N-(1-cyanoethyl)-2-phenylacetamide?
N-(1-cyanoethyl)-2-phenylacetamide has a molecular weight of 188.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-2-phenylacetamide is sourced from PubChem (CID 61120840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).