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

C18H24N2O5 — CID 135759646

IUPAC8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid
SMILESCOc1cc(/C=C/C=N/NC(=O)CCCCCCC(=O)O)ccc1O
InChIInChI=1S/C18H24N2O5/c1-25-16-13-14(10-11-15(16)21)7-6-12-19-20-17(22)8-4-2-3-5-9-18(23)24/h6-7,10-13,21H,2-5,8-9H2,1H3,(H,20,22)(H,23,24)/b7-6+,19-12+
InChIKeyJWNKANCKNMETLD-OMAKOEHPSA-N
MW348.40 g/mol
LogP2.94
Rot. Bonds11

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

8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid (PubChem CID 135759646) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid.

Molecular Properties

Compound Name8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid
PubChem CID135759646
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid
SMILESCOc1cc(/C=C/C=N/NC(=O)CCCCCCC(=O)O)ccc1O
InChIInChI=1S/C18H24N2O5/c1-25-16-13-14(10-11-15(16)21)7-6-12-19-20-17(22)8-4-2-3-5-9-18(23)24/h6-7,10-13,21H,2-5,8-9H2,1H3,(H,20,22)(H,23,24)/b7-6+,19-12+
InChIKeyJWNKANCKNMETLD-OMAKOEHPSA-N
XLogP2.94
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
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

8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
23-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxytricosanoic acid
CID 101364189
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
4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 2828255
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)hexadeca-1,3-dien-5-one
CID 86251922
2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
CID 5146322
7-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23836163

Frequently Asked Questions

What is the IUPAC name of 8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid?
The IUPAC name of 8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid (CID 135759646) is 8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid.
What is the SMILES notation for 8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid?
The canonical SMILES for 8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid is COc1cc(/C=C/C=N/NC(=O)CCCCCCC(=O)O)ccc1O.
What is the InChIKey of 8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid?
The InChIKey is JWNKANCKNMETLD-OMAKOEHPSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-25-16-13-14(10-11-15(16)21)7-6-12-19-20-17(22)8-4-2-3-5-9-18(23)24/h6-7,10-13,21H,2-5,8-9H2,1H3,(H,20,22)(H,23,24)/b7-6+,19-12+.
What are the key properties of 8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid?
8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid has a molecular weight of 348.40 g/mol, XLogP of 2.94, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2E)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]hydrazinyl]-8-oxooctanoic acid is sourced from PubChem (CID 135759646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).