N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide

C24H17N3O2 — CID 9316542

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C24H17N3O2/c25-14-17-9-11-20(12-10-17)29-16-24(28)27-26-15-23-21-7-3-1-5-18(21)13-19-6-2-4-8-22(19)23/h1-13,15H,16H2,(H,27,28)/b26-15-
InChIKeyUVCSGBCTTOFJLX-YSMPRRRNSA-N
MW379.42 g/mol
LogP4.39
Rot. Bonds5

About N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide

N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide (PubChem CID 9316542) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide
PubChem CID9316542
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C24H17N3O2/c25-14-17-9-11-20(12-10-17)29-16-24(28)27-26-15-23-21-7-3-1-5-18(21)13-19-6-2-4-8-22(19)23/h1-13,15H,16H2,(H,27,28)/b26-15-
InChIKeyUVCSGBCTTOFJLX-YSMPRRRNSA-N
XLogP4.39
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.39
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
CID 3363450
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5334294
N-(anthracen-9-ylmethylideneamino)-2-(4-pentylphenoxy)acetamide
CID 609044
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-pentylphenoxy)acetamide
CID 5375690
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide
CID 7334026
N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 4540848
2-(4-fluorophenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137054697
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992144
N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 45055199
2-[4-(4-cyanophenyl)phenoxy]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 42992132
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 2392759

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide (CID 9316542) is N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide is N#Cc1ccc(OCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide?
The InChIKey is UVCSGBCTTOFJLX-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H17N3O2/c25-14-17-9-11-20(12-10-17)29-16-24(28)27-26-15-23-21-7-3-1-5-18(21)13-19-6-2-4-8-22(19)23/h1-13,15H,16H2,(H,27,28)/b26-15-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide?
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide has a molecular weight of 379.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 9316542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).