N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide

C27H30N2O4 — CID 110515412

IUPACN-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccc(OC)cc2)ccc1OCc1cc(C)ccc1C
InChIInChI=1S/C27H30N2O4/c1-5-32-26-15-22(10-13-25(26)33-18-23-14-19(2)6-7-20(23)3)17-28-29-27(30)16-21-8-11-24(31-4)12-9-21/h6-15,17H,5,16,18H2,1-4H3,(H,29,30)/b28-17-
InChIKeyTUORNBOOYQQJAL-QRQIAZFYSA-N
MW446.55 g/mol
LogP4.98
Rot. Bonds10

About N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 110515412) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID110515412
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccc(OC)cc2)ccc1OCc1cc(C)ccc1C
InChIInChI=1S/C27H30N2O4/c1-5-32-26-15-22(10-13-25(26)33-18-23-14-19(2)6-7-20(23)3)17-28-29-27(30)16-21-8-11-24(31-4)12-9-21/h6-15,17H,5,16,18H2,1-4H3,(H,29,30)/b28-17-
InChIKeyTUORNBOOYQQJAL-QRQIAZFYSA-N
XLogP4.98
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,4-dimethylphenyl)-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133144043
2-(2,5-dimethylphenyl)-N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126368290
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 7342212
N-[(E)-[4-[(4-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144044
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 126186145
N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxyaniline
CID 110508914
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 132913572
N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 110509397
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4575722
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368592
2-(4-bromophenyl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19061546
2-(4-fluorophenyl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126229463

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide (CID 110515412) is N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide is CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)cc2)ccc1OCc1cc(C)ccc1C.
What is the InChIKey of N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is TUORNBOOYQQJAL-QRQIAZFYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-5-32-26-15-22(10-13-25(26)33-18-23-14-19(2)6-7-20(23)3)17-28-29-27(30)16-21-8-11-24(31-4)12-9-21/h6-15,17H,5,16,18H2,1-4H3,(H,29,30)/b28-17-.
What are the key properties of N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 446.55 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 110515412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).