acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide

C19H22N6O2 — CID 139205666

IUPACacetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide
SMILESCC#N.CCN(CC)c1ccc(/C=N/C(C#N)=C(/C#N)NC(C)=O)c(O)c1
InChIInChI=1S/C17H19N5O2.C2H3N/c1-4-22(5-2)14-7-6-13(17(24)8-14)11-20-15(9-18)16(10-19)21-12(3)23;1-2-3/h6-8,11,24H,4-5H2,1-3H3,(H,21,23);1H3/b16-15-,20-11+;
InChIKeyQFHQYRZKRSMFNP-PODZEMSGSA-N
MW366.43 g/mol
LogP2.58
Rot. Bonds6

About acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide

acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide (PubChem CID 139205666) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide.

Molecular Properties

Compound Nameacetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide
PubChem CID139205666
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Nameacetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide
SMILESCC#N.CCN(CC)c1ccc(/C=N/C(C#N)=C(/C#N)NC(C)=O)c(O)c1
InChIInChI=1S/C17H19N5O2.C2H3N/c1-4-22(5-2)14-7-6-13(17(24)8-14)11-20-15(9-18)16(10-19)21-12(3)23;1-2-3/h6-8,11,24H,4-5H2,1-3H3,(H,21,23);1H3/b16-15-,20-11+;
InChIKeyQFHQYRZKRSMFNP-PODZEMSGSA-N
XLogP2.58
TPSA136.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide?
The IUPAC name of acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide (CID 139205666) is acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide.
What is the SMILES notation for acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide?
The canonical SMILES for acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide is CC#N.CCN(CC)c1ccc(/C=N/C(C#N)=C(/C#N)NC(C)=O)c(O)c1.
What is the InChIKey of acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide?
The InChIKey is QFHQYRZKRSMFNP-PODZEMSGSA-N. The full InChI is InChI=1S/C17H19N5O2.C2H3N/c1-4-22(5-2)14-7-6-13(17(24)8-14)11-20-15(9-18)16(10-19)21-12(3)23;1-2-3/h6-8,11,24H,4-5H2,1-3H3,(H,21,23);1H3/b16-15-,20-11+;.
What are the key properties of acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide?
acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide has a molecular weight of 366.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide is sourced from PubChem (CID 139205666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).