N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide

C15H21N3O4 — CID 135883129

IUPACN'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)N/N=C/c1ccc(O)cc1)NO
InChIInChI=1S/C15H21N3O4/c19-13-9-7-12(8-10-13)11-16-17-14(20)5-3-1-2-4-6-15(21)18-22/h7-11,19,22H,1-6H2,(H,17,20)(H,18,21)/b16-11+
InChIKeyMEHBBSQFHOQSGW-LFIBNONCSA-N
MW307.35 g/mol
LogP1.69
Rot. Bonds9

About N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide

N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide (PubChem CID 135883129) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
PubChem CID135883129
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)N/N=C/c1ccc(O)cc1)NO
InChIInChI=1S/C15H21N3O4/c19-13-9-7-12(8-10-13)11-16-17-14(20)5-3-1-2-4-6-15(21)18-22/h7-11,19,22H,1-6H2,(H,17,20)(H,18,21)/b16-11+
InChIKeyMEHBBSQFHOQSGW-LFIBNONCSA-N
XLogP1.69
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.69
H-Bond Donors ≤ 54
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': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide 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

7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 136668789
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
CID 135922676
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 135883068
7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23749398
2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136884201
N'-hydroxy-N-[(E)-(4-prop-2-ynoxyphenyl)methylideneamino]hexanediamide
CID 23760404

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide (CID 135883129) is N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide is O=C(CCCCCCC(=O)N/N=C/c1ccc(O)cc1)NO.
What is the InChIKey of N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide?
The InChIKey is MEHBBSQFHOQSGW-LFIBNONCSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-13-9-7-12(8-10-13)11-16-17-14(20)5-3-1-2-4-6-15(21)18-22/h7-11,19,22H,1-6H2,(H,17,20)(H,18,21)/b16-11+.
What are the key properties of N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide?
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide has a molecular weight of 307.35 g/mol, XLogP of 1.69, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide is sourced from PubChem (CID 135883129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).