2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide

C17H14N2O2 — CID 799942

IUPAC2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide
SMILESN#C/C(=C\c1ccc(OCC(N)=O)cc1)c1ccccc1
InChIInChI=1S/C17H14N2O2/c18-11-15(14-4-2-1-3-5-14)10-13-6-8-16(9-7-13)21-12-17(19)20/h1-10H,12H2,(H2,19,20)/b15-10+
InChIKeyVPAQXGVPBGAGKD-XNTDXEJSSA-N
MW278.31 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide

2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide (PubChem CID 799942) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide
PubChem CID799942
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide
SMILESN#C/C(=C\c1ccc(OCC(N)=O)cc1)c1ccccc1
InChIInChI=1S/C17H14N2O2/c18-11-15(14-4-2-1-3-5-14)10-13-6-8-16(9-7-13)21-12-17(19)20/h1-10H,12H2,(H2,19,20)/b15-10+
InChIKeyVPAQXGVPBGAGKD-XNTDXEJSSA-N
XLogP2.61
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide (CID 799942) is 2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide is N#C/C(=C\c1ccc(OCC(N)=O)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide?
The InChIKey is VPAQXGVPBGAGKD-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-11-15(14-4-2-1-3-5-14)10-13-6-8-16(9-7-13)21-12-17(19)20/h1-10H,12H2,(H2,19,20)/b15-10+.
What are the key properties of 2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide?
2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide has a molecular weight of 278.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-2-cyano-2-phenylethenyl]phenoxy]acetamide is sourced from PubChem (CID 799942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).