N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide

C25H22N2O2 — CID 3363450

IUPACN-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C25H22N2O2/c1-2-18-11-13-21(14-12-18)29-17-25(28)27-26-16-24-22-9-5-3-7-19(22)15-20-8-4-6-10-23(20)24/h3-16H,2,17H2,1H3,(H,27,28)
InChIKeyFKMFQQINFWISTP-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.08
Rot. Bonds6

About N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide

N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide (PubChem CID 3363450) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
PubChem CID3363450
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C25H22N2O2/c1-2-18-11-13-21(14-12-18)29-17-25(28)27-26-16-24-22-9-5-3-7-19(22)15-20-8-4-6-10-23(20)24/h3-16H,2,17H2,1H3,(H,27,28)
InChIKeyFKMFQQINFWISTP-UHFFFAOYSA-N
XLogP5.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pentylphenoxy)acetamide
CID 609044
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-pentylphenoxy)acetamide
CID 5375690
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide
CID 9316542
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5334294
2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 5065891
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide
CID 7334026
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291
N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 4540848
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 5452143
[1-[[(2-phenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 4171408
2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922542
2-(4-fluorophenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137054697

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide (CID 3363450) is N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide?
The InChIKey is FKMFQQINFWISTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-2-18-11-13-21(14-12-18)29-17-25(28)27-26-16-24-22-9-5-3-7-19(22)15-20-8-4-6-10-23(20)24/h3-16H,2,17H2,1H3,(H,27,28).
What are the key properties of N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide?
N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide has a molecular weight of 382.46 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 3363450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).