N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide

C26H26N2O3 — CID 3601208

IUPACN-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C26H26N2O3/c1-3-6-23-7-4-5-8-25(23)31-19-26(29)28-27-17-21-13-15-24(16-14-21)30-18-22-11-9-20(2)10-12-22/h3-5,7-17H,1,6,18-19H2,2H3,(H,28,29)
InChIKeyOFBSCFLLOPOWPR-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.83
Rot. Bonds10

About N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide

N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide (PubChem CID 3601208) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
PubChem CID3601208
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C26H26N2O3/c1-3-6-23-7-4-5-8-25(23)31-19-26(29)28-27-17-21-13-15-24(16-14-21)30-18-22-11-9-20(2)10-12-22/h3-5,7-17H,1,6,18-19H2,2H3,(H,28,29)
InChIKeyOFBSCFLLOPOWPR-UHFFFAOYSA-N
XLogP4.83
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19183108
N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 6111873
2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190499
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 19183113
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6149713
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 5178091
2-(2,5-dimethylphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3297073
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6142910
2-(4-chloro-2-methylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190504
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
[2-ethoxy-4-[[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 4079308

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide (CID 3601208) is N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The InChIKey is OFBSCFLLOPOWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-3-6-23-7-4-5-8-25(23)31-19-26(29)28-27-17-21-13-15-24(16-14-21)30-18-22-11-9-20(2)10-12-22/h3-5,7-17H,1,6,18-19H2,2H3,(H,28,29).
What are the key properties of N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 3601208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).