2-amino-N-(1-cyano-2-phenylethyl)acetamide

C11H13N3O — CID 11241135

IUPAC2-amino-N-(1-cyano-2-phenylethyl)acetamide
SMILESN#CC(Cc1ccccc1)NC(=O)CN
InChIInChI=1S/C11H13N3O/c12-7-10(14-11(15)8-13)6-9-4-2-1-3-5-9/h1-5,10H,6,8,13H2,(H,14,15)
InChIKeyQLVGHFBUSGYCCG-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-N-(1-cyano-2-phenylethyl)acetamide

2-amino-N-(1-cyano-2-phenylethyl)acetamide (PubChem CID 11241135) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-amino-N-(1-cyano-2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1-cyano-2-phenylethyl)acetamide
PubChem CID11241135
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-amino-N-(1-cyano-2-phenylethyl)acetamide
SMILESN#CC(Cc1ccccc1)NC(=O)CN
InChIInChI=1S/C11H13N3O/c12-7-10(14-11(15)8-13)6-9-4-2-1-3-5-9/h1-5,10H,6,8,13H2,(H,14,15)
InChIKeyQLVGHFBUSGYCCG-UHFFFAOYSA-N
XLogP0.20
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyano-2-phenylethyl)acetamide?
The IUPAC name of 2-amino-N-(1-cyano-2-phenylethyl)acetamide (CID 11241135) is 2-amino-N-(1-cyano-2-phenylethyl)acetamide.
What is the SMILES notation for 2-amino-N-(1-cyano-2-phenylethyl)acetamide?
The canonical SMILES for 2-amino-N-(1-cyano-2-phenylethyl)acetamide is N#CC(Cc1ccccc1)NC(=O)CN.
What is the InChIKey of 2-amino-N-(1-cyano-2-phenylethyl)acetamide?
The InChIKey is QLVGHFBUSGYCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-7-10(14-11(15)8-13)6-9-4-2-1-3-5-9/h1-5,10H,6,8,13H2,(H,14,15).
What are the key properties of 2-amino-N-(1-cyano-2-phenylethyl)acetamide?
2-amino-N-(1-cyano-2-phenylethyl)acetamide has a molecular weight of 203.24 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyano-2-phenylethyl)acetamide is sourced from PubChem (CID 11241135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).