N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide

C26H25ClN2O4 — CID 5178091

IUPACN-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C26H25ClN2O4/c1-3-6-21-7-4-5-8-23(21)33-18-26(30)29-28-16-20-11-14-24(25(15-20)31-2)32-17-19-9-12-22(27)13-10-19/h3-5,7-16H,1,6,17-18H2,2H3,(H,29,30)
InChIKeyWYCSSOKOQBGZTR-UHFFFAOYSA-N
MW464.95 g/mol
LogP5.19
Rot. Bonds11

About N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide (PubChem CID 5178091) has the molecular formula C26H25ClN2O4 and a molecular weight of 464.95 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
PubChem CID5178091
Molecular FormulaC26H25ClN2O4
Molecular Weight464.95 g/mol
Exact Mass464.15
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C26H25ClN2O4/c1-3-6-21-7-4-5-8-23(21)33-18-26(30)29-28-16-20-11-14-24(25(15-20)31-2)32-17-19-9-12-22(27)13-10-19/h3-5,7-16H,1,6,17-18H2,2H3,(H,29,30)
InChIKeyWYCSSOKOQBGZTR-UHFFFAOYSA-N
XLogP5.19
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.95
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butylphenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19169726
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6023296
2-(2-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190146
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 3601208
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 9358682
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 6009481
2-(2-ethylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19183036
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 136829892
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 6031125
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide (CID 5178091) is N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The InChIKey is WYCSSOKOQBGZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4/c1-3-6-21-7-4-5-8-23(21)33-18-26(30)29-28-16-20-11-14-24(25(15-20)31-2)32-17-19-9-12-22(27)13-10-19/h3-5,7-16H,1,6,17-18H2,2H3,(H,29,30).
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide has a molecular weight of 464.95 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 5178091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).