[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate

C34H43N3O4 — CID 98298390

IUPAC[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1c(OC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C34H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-15-22-32(38)35-26-33(39)37-36-25-30-29-21-17-16-18-27(29)23-24-31(30)41-34(40)28-19-13-12-14-20-28/h12-14,16-21,23-25H,2-11,15,22,26H2,1H3,(H,35,38)(H,37,39)/b36-25-
InChIKeySFSWAIPDSQFIOP-LAKKEJQSSA-N
MW557.74 g/mol
LogP7.33
Rot. Bonds18

About [1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate

[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate (PubChem CID 98298390) has the molecular formula C34H43N3O4 and a molecular weight of 557.74 g/mol. Its IUPAC name is [1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
PubChem CID98298390
Molecular FormulaC34H43N3O4
Molecular Weight557.74 g/mol
Exact Mass557.33
IUPAC Name[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1c(OC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C34H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-15-22-32(38)35-26-33(39)37-36-25-30-29-21-17-16-18-27(29)23-24-31(30)41-34(40)28-19-13-12-14-20-28/h12-14,16-21,23-25H,2-11,15,22,26H2,1H3,(H,35,38)(H,37,39)/b36-25-
InChIKeySFSWAIPDSQFIOP-LAKKEJQSSA-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

[1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 4077342
[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6183677
[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6156832
[1-[(octadecanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 4990198
[1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6026070
N-[2-[2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5077393
N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4142604
[1-[[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 4638352
[2-ethoxy-4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3667299
[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 51060557
[1-[(E)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 51061339
[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6157269

Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The IUPAC name of [1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate (CID 98298390) is [1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate.
What is the SMILES notation for [1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The canonical SMILES for [1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate is CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1c(OC(=O)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The InChIKey is SFSWAIPDSQFIOP-LAKKEJQSSA-N. The full InChI is InChI=1S/C34H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-15-22-32(38)35-26-33(39)37-36-25-30-29-21-17-16-18-27(29)23-24-31(30)41-34(40)28-19-13-12-14-20-28/h12-14,16-21,23-25H,2-11,15,22,26H2,1H3,(H,35,38)(H,37,39)/b36-25-.
What are the key properties of [1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate 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 [1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate is sourced from PubChem (CID 98298390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).