6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid

C22H34N2O5 — CID 4639552

IUPAC6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
SMILESCCCCCCCCCCCC(=O)NN=Cc1ccc(OC)c(OC)c1C(=O)O
InChIInChI=1S/C22H34N2O5/c1-4-5-6-7-8-9-10-11-12-13-19(25)24-23-16-17-14-15-18(28-2)21(29-3)20(17)22(26)27/h14-16H,4-13H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyHOTPDDJKZSRHPZ-UHFFFAOYSA-N
MW406.52 g/mol
LogP4.77
Rot. Bonds15

About 6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid

6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid (PubChem CID 4639552) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is 6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid.

Molecular Properties

Compound Name6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
PubChem CID4639552
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC Name6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
SMILESCCCCCCCCCCCC(=O)NN=Cc1ccc(OC)c(OC)c1C(=O)O
InChIInChI=1S/C22H34N2O5/c1-4-5-6-7-8-9-10-11-12-13-19(25)24-23-16-17-14-15-18(28-2)21(29-3)20(17)22(26)27/h14-16H,4-13H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyHOTPDDJKZSRHPZ-UHFFFAOYSA-N
XLogP4.77
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 54.77
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'}

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Related Compounds

N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide
CID 4181503
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988
N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
CID 4657940
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
CID 5334708
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
4-[[(Z)-(2-carboxy-3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenolate
CID 54724958
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide
CID 6008336
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6260724
N,N'-bis[(2,4,5-trimethoxyphenyl)methylideneamino]octanediamide
CID 3495405

Frequently Asked Questions

What is the IUPAC name of 6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid?
The IUPAC name of 6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid (CID 4639552) is 6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid.
What is the SMILES notation for 6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid?
The canonical SMILES for 6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid is CCCCCCCCCCCC(=O)NN=Cc1ccc(OC)c(OC)c1C(=O)O.
What is the InChIKey of 6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid?
The InChIKey is HOTPDDJKZSRHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-4-5-6-7-8-9-10-11-12-13-19(25)24-23-16-17-14-15-18(28-2)21(29-3)20(17)22(26)27/h14-16H,4-13H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid?
6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid has a molecular weight of 406.52 g/mol, XLogP of 4.77, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid is sourced from PubChem (CID 4639552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).