8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid

C16H22N2O5 — CID 135757722

IUPAC8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
SMILESCOc1cc(/C=N/NC(=O)CCCCCCC(=O)O)ccc1O
InChIInChI=1S/C16H22N2O5/c1-23-14-10-12(8-9-13(14)19)11-17-18-15(20)6-4-2-3-5-7-16(21)22/h8-11,19H,2-7H2,1H3,(H,18,20)(H,21,22)/b17-11+
InChIKeySSNQRKOWANIGBD-GZTJUZNOSA-N
MW322.36 g/mol
LogP2.28
Rot. Bonds10

About 8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid

8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid (PubChem CID 135757722) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid.

Molecular Properties

Compound Name8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
PubChem CID135757722
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
SMILESCOc1cc(/C=N/NC(=O)CCCCCCC(=O)O)ccc1O
InChIInChI=1S/C16H22N2O5/c1-23-14-10-12(8-9-13(14)19)11-17-18-15(20)6-4-2-3-5-7-16(21)22/h8-11,19H,2-7H2,1H3,(H,18,20)(H,21,22)/b17-11+
InChIKeySSNQRKOWANIGBD-GZTJUZNOSA-N
XLogP2.28
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid
CID 135759646
4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 2828255
N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5010893
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 135821939
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
CID 5146322
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684538
2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid
CID 71628364
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide
CID 135684070

Frequently Asked Questions

What is the IUPAC name of 8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
The IUPAC name of 8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid (CID 135757722) is 8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid.
What is the SMILES notation for 8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
The canonical SMILES for 8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid is COc1cc(/C=N/NC(=O)CCCCCCC(=O)O)ccc1O.
What is the InChIKey of 8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
The InChIKey is SSNQRKOWANIGBD-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-23-14-10-12(8-9-13(14)19)11-17-18-15(20)6-4-2-3-5-7-16(21)22/h8-11,19H,2-7H2,1H3,(H,18,20)(H,21,22)/b17-11+.
What are the key properties of 8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid has a molecular weight of 322.36 g/mol, XLogP of 2.28, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid is sourced from PubChem (CID 135757722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).