N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide

C13H16N2O2 — CID 62653112

IUPACN-(2-cyanopropyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCC(C)C#N)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(8-14)9-15-13(16)12(17-2)11-6-4-3-5-7-11/h3-7,10,12H,9H2,1-2H3,(H,15,16)
InChIKeyXQFRDLBBUCGVNZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.65
Rot. Bonds5

About N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide

N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide (PubChem CID 62653112) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-methoxy-2-phenylacetamide
PubChem CID62653112
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-cyanopropyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCC(C)C#N)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(8-14)9-15-13(16)12(17-2)11-6-4-3-5-7-11/h3-7,10,12H,9H2,1-2H3,(H,15,16)
InChIKeyXQFRDLBBUCGVNZ-UHFFFAOYSA-N
XLogP1.65
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide (CID 62653112) is N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide is COC(C(=O)NCC(C)C#N)c1ccccc1.
What is the InChIKey of N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide?
The InChIKey is XQFRDLBBUCGVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(8-14)9-15-13(16)12(17-2)11-6-4-3-5-7-11/h3-7,10,12H,9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide?
N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide has a molecular weight of 232.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 62653112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).