2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

C28H25FN2O3 — CID 5065891

IUPAC2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C28H25FN2O3/c1-2-20-9-14-24(15-10-20)33-19-28(32)31-30-17-26-25-6-4-3-5-22(25)11-16-27(26)34-18-21-7-12-23(29)13-8-21/h3-17H,2,18-19H2,1H3,(H,31,32)
InChIKeyZYZFGGZLJFDXKR-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.65
Rot. Bonds9

About 2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (PubChem CID 5065891) has the molecular formula C28H25FN2O3 and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
PubChem CID5065891
Molecular FormulaC28H25FN2O3
Molecular Weight456.52 g/mol
Exact Mass456.18
IUPAC Name2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C28H25FN2O3/c1-2-20-9-14-24(15-10-20)33-19-28(32)31-30-17-26-25-6-4-3-5-22(25)11-16-27(26)34-18-21-7-12-23(29)13-8-21/h3-17H,2,18-19H2,1H3,(H,31,32)
InChIKeyZYZFGGZLJFDXKR-UHFFFAOYSA-N
XLogP5.65
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.65
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

2-(4-butoxyphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4601287
2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6031148
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6111701
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 4276527
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6106773
N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030148
[1-[[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 3361671
N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
CID 3363450
2-(4-fluorophenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137054697
N-[2-[2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5077393
N-(4-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3580883
N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6871189

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (CID 5065891) is 2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is CCc1ccc(OCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
The InChIKey is ZYZFGGZLJFDXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O3/c1-2-20-9-14-24(15-10-20)33-19-28(32)31-30-17-26-25-6-4-3-5-22(25)11-16-27(26)34-18-21-7-12-23(29)13-8-21/h3-17H,2,18-19H2,1H3,(H,31,32).
What are the key properties of 2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide has a molecular weight of 456.52 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is sourced from PubChem (CID 5065891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).