2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide

C17H15N3O2 — CID 5171584

IUPAC2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CC#N)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15N3O2/c1-13(19-20-17(21)11-12-18)14-7-9-16(10-8-14)22-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyTZBGDKNPLUUTLS-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.23
Rot. Bonds5

About 2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide

2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide (PubChem CID 5171584) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide
PubChem CID5171584
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CC#N)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15N3O2/c1-13(19-20-17(21)11-12-18)14-7-9-16(10-8-14)22-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyTZBGDKNPLUUTLS-UHFFFAOYSA-N
XLogP3.23
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
CID 5418111
2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
CID 8022911
2-(2,4-dimethylphenyl)-N-[(E)-1-(4-phenoxyphenyl)ethylideneamino]acetamide
CID 133170962
N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide
CID 124890840
2-cyano-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 92664451
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide
CID 6278267
2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867
2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5334027
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
4-phenoxybenzoyl cyanide
CID 20510497

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide (CID 5171584) is 2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide is CC(=NNC(=O)CC#N)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide?
The InChIKey is TZBGDKNPLUUTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-13(19-20-17(21)11-12-18)14-7-9-16(10-8-14)22-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide?
2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide has a molecular weight of 293.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 5171584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).