[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate

C29H37N3O5 — CID 3870684

IUPAC[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)C=Cc2ccccc2)c(OC)c1
InChIInChI=1S/C29H37N3O5/c1-3-4-5-6-7-8-12-15-27(33)30-22-28(34)32-31-21-24-16-18-25(26(20-24)36-2)37-29(35)19-17-23-13-10-9-11-14-23/h9-11,13-14,16-21H,3-8,12,15,22H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyZTUQCRBVKBCCHE-UHFFFAOYSA-N
MW507.63 g/mol
LogP5.02
Rot. Bonds16

About [4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate

[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate (PubChem CID 3870684) has the molecular formula C29H37N3O5 and a molecular weight of 507.63 g/mol. Its IUPAC name is [4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate.

Molecular Properties

Compound Name[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
PubChem CID3870684
Molecular FormulaC29H37N3O5
Molecular Weight507.63 g/mol
Exact Mass507.27
IUPAC Name[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)C=Cc2ccccc2)c(OC)c1
InChIInChI=1S/C29H37N3O5/c1-3-4-5-6-7-8-12-15-27(33)30-22-28(34)32-31-21-24-16-18-25(26(20-24)36-2)37-29(35)19-17-23-13-10-9-11-14-23/h9-11,13-14,16-21H,3-8,12,15,22H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyZTUQCRBVKBCCHE-UHFFFAOYSA-N
XLogP5.02
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate 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

[2-methoxy-4-[[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 5106661
[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
CID 6243829
[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6020193
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 135821939
N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5010893
[4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 5015541
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 4680151
[2-methoxy-4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 3824209
[2-ethoxy-4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3667299
[4-[(Z)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-ethoxybenzoate
CID 6091927
[4-[[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 4230498
N-[2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 98296303

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate?
The IUPAC name of [4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate (CID 3870684) is [4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate.
What is the SMILES notation for [4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate?
The canonical SMILES for [4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate is CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)C=Cc2ccccc2)c(OC)c1.
What is the InChIKey of [4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate?
The InChIKey is ZTUQCRBVKBCCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O5/c1-3-4-5-6-7-8-12-15-27(33)30-22-28(34)32-31-21-24-16-18-25(26(20-24)36-2)37-29(35)19-17-23-13-10-9-11-14-23/h9-11,13-14,16-21H,3-8,12,15,22H2,1-2H3,(H,30,33)(H,32,34).
What are the key properties of [4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate?
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate has a molecular weight of 507.63 g/mol, XLogP of 5.02, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate is sourced from PubChem (CID 3870684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).