(1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide

C17H14N4O3 — CID 6324022

IUPAC(1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N/OCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H14N4O3/c18-11-15(17(23)20-14-9-5-2-6-10-14)21-24-12-16(22)19-13-7-3-1-4-8-13/h1-10H,12H2,(H,19,22)(H,20,23)/b21-15-
InChIKeyILXXWLIPEKWUJT-QNGOZBTKSA-N
MW322.32 g/mol
LogP2.16
Rot. Bonds6

About (1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide

(1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide (PubChem CID 6324022) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is (1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide
PubChem CID6324022
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name(1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N/OCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H14N4O3/c18-11-15(17(23)20-14-9-5-2-6-10-14)21-24-12-16(22)19-13-7-3-1-4-8-13/h1-10H,12H2,(H,19,22)(H,20,23)/b21-15-
InChIKeyILXXWLIPEKWUJT-QNGOZBTKSA-N
XLogP2.16
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 15500432
2-aminooxy-N-phenylacetamide
CID 68980997
2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055
(E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 126053567
2-cyano-3-[2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-N-phenylprop-2-enamide
CID 3402415
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide
CID 9372104
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide
CID 9372367
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
3-[2-(2-anilino-2-oxoethoxy)phenyl]-2-cyano-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 4710761
ethane;2-methoxy-N-phenylacetamide;yttrium
CID 159976159
bis(2-anilino-2-oxoethyl) (E)-but-2-enedioate
CID 9010738

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide (CID 6324022) is (1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide is N#C/C(=N/OCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide?
The InChIKey is ILXXWLIPEKWUJT-QNGOZBTKSA-N. The full InChI is InChI=1S/C17H14N4O3/c18-11-15(17(23)20-14-9-5-2-6-10-14)21-24-12-16(22)19-13-7-3-1-4-8-13/h1-10H,12H2,(H,19,22)(H,20,23)/b21-15-.
What are the key properties of (1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide?
(1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide has a molecular weight of 322.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 6324022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).