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

C30H35N3O4 — CID 4077342

IUPAC[1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C30H35N3O4/c1-2-3-4-5-6-7-11-18-28(34)31-22-29(35)33-32-21-26-25-17-13-12-14-23(25)19-20-27(26)37-30(36)24-15-9-8-10-16-24/h8-10,12-17,19-21H,2-7,11,18,22H2,1H3,(H,31,34)(H,33,35)
InChIKeySPUAPIRMZDCQAJ-UHFFFAOYSA-N
MW501.63 g/mol
LogP5.77
Rot. Bonds14

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

[1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate (PubChem CID 4077342) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is [1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
PubChem CID4077342
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC Name[1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C30H35N3O4/c1-2-3-4-5-6-7-11-18-28(34)31-22-29(35)33-32-21-26-25-17-13-12-14-23(25)19-20-27(26)37-30(36)24-15-9-8-10-16-24/h8-10,12-17,19-21H,2-7,11,18,22H2,1H3,(H,31,34)(H,33,35)
InChIKeySPUAPIRMZDCQAJ-UHFFFAOYSA-N
XLogP5.77
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 55.77
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-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 98298390
[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-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The IUPAC name of [1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate (CID 4077342) is [1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate.
What is the SMILES notation for [1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The canonical SMILES for [1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate is CCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The InChIKey is SPUAPIRMZDCQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4/c1-2-3-4-5-6-7-11-18-28(34)31-22-29(35)33-32-21-26-25-17-13-12-14-23(25)19-20-27(26)37-30(36)24-15-9-8-10-16-24/h8-10,12-17,19-21H,2-7,11,18,22H2,1H3,(H,31,34)(H,33,35).
What are the key properties of [1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
[1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate has a molecular weight of 501.63 g/mol, XLogP of 5.77, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate is sourced from PubChem (CID 4077342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).