2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide

C24H24N2O5 — CID 9315527

IUPAC2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)c(OC)cc1/C=N\NC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C24H24N2O5/c1-28-21-14-23(30-3)22(29-2)13-18(21)15-25-26-24(27)16-31-20-12-8-7-11-19(20)17-9-5-4-6-10-17/h4-15H,16H2,1-3H3,(H,26,27)/b25-15-
InChIKeyNNXVTWALOKHOIH-MYYYXRDXSA-N
MW420.47 g/mol
LogP3.91
Rot. Bonds9

About 2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 9315527) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID9315527
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)c(OC)cc1/C=N\NC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C24H24N2O5/c1-28-21-14-23(30-3)22(29-2)13-18(21)15-25-26-24(27)16-31-20-12-8-7-11-19(20)17-9-5-4-6-10-17/h4-15H,16H2,1-3H3,(H,26,27)/b25-15-
InChIKeyNNXVTWALOKHOIH-MYYYXRDXSA-N
XLogP3.91
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
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

2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 136903161
2-[2-[[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1244956
N-[(Z)-benzylideneamino]-2-(2-phenylphenoxy)acetamide
CID 5420157
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135610830
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 19190115
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 922567
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135603269
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 6123716
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1014844
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5433203

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 9315527) is 2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1cc(OC)c(OC)cc1/C=N\NC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is NNXVTWALOKHOIH-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-28-21-14-23(30-3)22(29-2)13-18(21)15-25-26-24(27)16-31-20-12-8-7-11-19(20)17-9-5-4-6-10-17/h4-15H,16H2,1-3H3,(H,26,27)/b25-15-.
What are the key properties of 2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 420.47 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 9315527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).