2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide

C34H32N4O4 — CID 172923050

IUPAC2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide
SMILESC=Cc1cccc(/C=N/NC(=O)COc2ccc(C(C)(c3ccccc3)c3ccc(OCC(=O)NN=C)cc3)cc2)c1
InChIInChI=1S/C34H32N4O4/c1-4-25-9-8-10-26(21-25)22-36-38-33(40)24-42-31-19-15-29(16-20-31)34(2,27-11-6-5-7-12-27)28-13-17-30(18-14-28)41-23-32(39)37-35-3/h4-22H,1,3,23-24H2,2H3,(H,37,39)(H,38,40)/b36-22+
InChIKeyGOVSXIUUTLUADA-HPNXWYHWSA-N
MW560.65 g/mol
LogP5.32
Rot. Bonds13

About 2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide

2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide (PubChem CID 172923050) has the molecular formula C34H32N4O4 and a molecular weight of 560.65 g/mol. Its IUPAC name is 2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide.

Molecular Properties

Compound Name2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide
PubChem CID172923050
Molecular FormulaC34H32N4O4
Molecular Weight560.65 g/mol
Exact Mass560.24
IUPAC Name2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide
SMILESC=Cc1cccc(/C=N/NC(=O)COc2ccc(C(C)(c3ccccc3)c3ccc(OCC(=O)NN=C)cc3)cc2)c1
InChIInChI=1S/C34H32N4O4/c1-4-25-9-8-10-26(21-25)22-36-38-33(40)24-42-31-19-15-29(16-20-31)34(2,27-11-6-5-7-12-27)28-13-17-30(18-14-28)41-23-32(39)37-35-3/h4-22H,1,3,23-24H2,2H3,(H,37,39)(H,38,40)/b36-22+
InChIKeyGOVSXIUUTLUADA-HPNXWYHWSA-N
XLogP5.32
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 55.32
H-Bond Donors ≤ 52
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 75083253
2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19189783
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19176119
N-[(4-hydroxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 135604431
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
N-[(3-chlorophenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 5194764
N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 2195671
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
2-(4-ethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924443

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide?
The IUPAC name of 2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide (CID 172923050) is 2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide.
What is the SMILES notation for 2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide?
The canonical SMILES for 2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide is C=Cc1cccc(/C=N/NC(=O)COc2ccc(C(C)(c3ccccc3)c3ccc(OCC(=O)NN=C)cc3)cc2)c1.
What is the InChIKey of 2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide?
The InChIKey is GOVSXIUUTLUADA-HPNXWYHWSA-N. The full InChI is InChI=1S/C34H32N4O4/c1-4-25-9-8-10-26(21-25)22-36-38-33(40)24-42-31-19-15-29(16-20-31)34(2,27-11-6-5-7-12-27)28-13-17-30(18-14-28)41-23-32(39)37-35-3/h4-22H,1,3,23-24H2,2H3,(H,37,39)(H,38,40)/b36-22+.
What are the key properties of 2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide?
2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide has a molecular weight of 560.65 g/mol, XLogP of 5.32, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide is sourced from PubChem (CID 172923050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).