2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide

C29H33N3O6 — CID 126022481

IUPAC2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1cc(/C=N/NC(=O)COc2cc(C)cc(CC)c2)ccc1OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C29H33N3O6/c1-5-21-13-20(3)14-23(15-21)37-19-29(34)32-30-17-22-11-12-26(27(16-22)36-6-2)38-18-28(33)31-24-9-7-8-10-25(24)35-4/h7-17H,5-6,18-19H2,1-4H3,(H,31,33)(H,32,34)/b30-17+
InChIKeyCGUKDJNWFUAOBI-OCSSWDANSA-N
MW519.60 g/mol
LogP4.51
Rot. Bonds13

About 2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide

2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 126022481) has the molecular formula C29H33N3O6 and a molecular weight of 519.60 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
PubChem CID126022481
Molecular FormulaC29H33N3O6
Molecular Weight519.60 g/mol
Exact Mass519.24
IUPAC Name2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1cc(/C=N/NC(=O)COc2cc(C)cc(CC)c2)ccc1OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C29H33N3O6/c1-5-21-13-20(3)14-23(15-21)37-19-29(34)32-30-17-22-11-12-26(27(16-22)36-6-2)38-18-28(33)31-24-9-7-8-10-25(24)35-4/h7-17H,5-6,18-19H2,1-4H3,(H,31,33)(H,32,34)/b30-17+
InChIKeyCGUKDJNWFUAOBI-OCSSWDANSA-N
XLogP4.51
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3-chlorophenoxy)-N-[(E)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126027473
N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126024494
N-[(E)-[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126018675
N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126020010
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126170578
2-(4-chlorophenoxy)-N-[(Z)-[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126016728
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
2-(3-bromophenoxy)-N-[(E)-[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126021656
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide (CID 126022481) is 2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide is CCOc1cc(/C=N/NC(=O)COc2cc(C)cc(CC)c2)ccc1OCC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is CGUKDJNWFUAOBI-OCSSWDANSA-N. The full InChI is InChI=1S/C29H33N3O6/c1-5-21-13-20(3)14-23(15-21)37-19-29(34)32-30-17-22-11-12-26(27(16-22)36-6-2)38-18-28(33)31-24-9-7-8-10-25(24)35-4/h7-17H,5-6,18-19H2,1-4H3,(H,31,33)(H,32,34)/b30-17+.
What are the key properties of 2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 519.60 g/mol, XLogP of 4.51, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 126022481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).