[4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate

C34H43N3O4 — CID 3667207

IUPAC[4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-20-32(38)35-26-33(39)37-36-25-27-21-23-29(24-22-27)41-34(40)31-19-15-17-28-16-13-14-18-30(28)31/h13-19,21-25H,2-12,20,26H2,1H3,(H,35,38)(H,37,39)
InChIKeyNTNZRRNGWGYFBT-UHFFFAOYSA-N
MW557.74 g/mol
LogP7.33
Rot. Bonds18

About [4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate

[4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate (PubChem CID 3667207) has the molecular formula C34H43N3O4 and a molecular weight of 557.74 g/mol. Its IUPAC name is [4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
PubChem CID3667207
Molecular FormulaC34H43N3O4
Molecular Weight557.74 g/mol
Exact Mass557.33
IUPAC Name[4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-20-32(38)35-26-33(39)37-36-25-27-21-23-29(24-22-27)41-34(40)31-19-15-17-28-16-13-14-18-30(28)31/h13-19,21-25H,2-12,20,26H2,1H3,(H,35,38)(H,37,39)
InChIKeyNTNZRRNGWGYFBT-UHFFFAOYSA-N
XLogP7.33
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 51060557
[4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6382457
[4-[(Z)-(hexadecanoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 98298432
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 5099755
[4-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6079659
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4056292
[4-[(Z)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6181750
[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 4090058
N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide
CID 45054319
[4-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 6271935
[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 98298326
[4-[(heptanoylhydrazinylidene)methyl]phenyl] benzoate
CID 3690699

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The IUPAC name of [4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate (CID 3667207) is [4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate.
What is the SMILES notation for [4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The canonical SMILES for [4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of [4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The InChIKey is NTNZRRNGWGYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-20-32(38)35-26-33(39)37-36-25-27-21-23-29(24-22-27)41-34(40)31-19-15-17-28-16-13-14-18-30(28)31/h13-19,21-25H,2-12,20,26H2,1H3,(H,35,38)(H,37,39).
What are the key properties of [4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
[4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate has a molecular weight of 557.74 g/mol, XLogP of 7.33, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is sourced from PubChem (CID 3667207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).