1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone

C25H24ClNO5 — CID 2457541

IUPAC1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CON=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C25H24ClNO5/c1-17(28)20-7-11-23(29-2)21(13-20)16-32-27-14-19-6-10-24(25(12-19)30-3)31-15-18-4-8-22(26)9-5-18/h4-14H,15-16H2,1-3H3
InChIKeyJMZNBAZKECZXOF-UHFFFAOYSA-N
MW453.92 g/mol
LogP5.69
Rot. Bonds10

About 1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone

1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone (PubChem CID 2457541) has the molecular formula C25H24ClNO5 and a molecular weight of 453.92 g/mol. Its IUPAC name is 1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
PubChem CID2457541
Molecular FormulaC25H24ClNO5
Molecular Weight453.92 g/mol
Exact Mass453.13
IUPAC Name1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CON=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C25H24ClNO5/c1-17(28)20-7-11-23(29-2)21(13-20)16-32-27-14-19-6-10-24(25(12-19)30-3)31-15-18-4-8-22(26)9-5-18/h4-14H,15-16H2,1-3H3
InChIKeyJMZNBAZKECZXOF-UHFFFAOYSA-N
XLogP5.69
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.92
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
CID 24605944
1-[3-[[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 6905479
(4-acetylphenyl) (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoate
CID 19185071
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5350145
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
2-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(ethylcarbamoyl)acetamide
CID 7642554
N-(3-acetylphenyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 1182771
2-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 126380130
N-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 4265176
3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide
CID 24581600
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3623673

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone (CID 2457541) is 1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1CON=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone?
The InChIKey is JMZNBAZKECZXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO5/c1-17(28)20-7-11-23(29-2)21(13-20)16-32-27-14-19-6-10-24(25(12-19)30-3)31-15-18-4-8-22(26)9-5-18/h4-14H,15-16H2,1-3H3.
What are the key properties of 1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone?
1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone has a molecular weight of 453.92 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 2457541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).