[4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

C31H43N3O5 — CID 6382457

IUPAC[4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H43N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-29(35)32-24-30(36)34-33-23-25-15-19-28(20-16-25)39-31(37)26-17-21-27(38-2)22-18-26/h15-23H,3-14,24H2,1-2H3,(H,32,35)(H,34,36)/b33-23-
InChIKeyPWDYSWOHHTYNHG-SNCSUOKWSA-N
MW537.70 g/mol
LogP6.18
Rot. Bonds19

About [4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

[4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate (PubChem CID 6382457) has the molecular formula C31H43N3O5 and a molecular weight of 537.70 g/mol. Its IUPAC name is [4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
PubChem CID6382457
Molecular FormulaC31H43N3O5
Molecular Weight537.70 g/mol
Exact Mass537.32
IUPAC Name[4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H43N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-29(35)32-24-30(36)34-33-23-25-15-19-28(20-16-25)39-31(37)26-17-21-27(38-2)22-18-26/h15-23H,3-14,24H2,1-2H3,(H,32,35)(H,34,36)/b33-23-
InChIKeyPWDYSWOHHTYNHG-SNCSUOKWSA-N
XLogP6.18
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 56.18
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate with MolForge

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Related Compounds

[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4056292
[4-[(Z)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6181750
[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 51060557
[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6020193
[4-[(Z)-[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6048625
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
[2-methoxy-4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 3824209
[4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 6380374
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3458071
[4-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 75609861
[4-[(Z)-(hexadecanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 98296299
[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 98298326

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate (CID 6382457) is [4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The InChIKey is PWDYSWOHHTYNHG-SNCSUOKWSA-N. The full InChI is InChI=1S/C31H43N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-29(35)32-24-30(36)34-33-23-25-15-19-28(20-16-25)39-31(37)26-17-21-27(38-2)22-18-26/h15-23H,3-14,24H2,1-2H3,(H,32,35)(H,34,36)/b33-23-.
What are the key properties of [4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
[4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate has a molecular weight of 537.70 g/mol, XLogP of 6.18, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 6382457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).