N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide

C16H24N4O4 — CID 135922678

IUPACN-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CCCCCC(=O)NO)c(O)c1
InChIInChI=1S/C16H24N4O4/c1-20(2)13-9-8-12(14(21)10-13)11-17-18-15(22)6-4-3-5-7-16(23)19-24/h8-11,21,24H,3-7H2,1-2H3,(H,18,22)(H,19,23)/b17-11+
InChIKeyQKGYKPDKVJSTLU-GZTJUZNOSA-N
MW336.39 g/mol
LogP1.36
Rot. Bonds9

About N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide

N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide (PubChem CID 135922678) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide
PubChem CID135922678
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC NameN-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CCCCCC(=O)NO)c(O)c1
InChIInChI=1S/C16H24N4O4/c1-20(2)13-9-8-12(14(21)10-13)11-17-18-15(22)6-4-3-5-7-16(23)19-24/h8-11,21,24H,3-7H2,1-2H3,(H,18,22)(H,19,23)/b17-11+
InChIKeyQKGYKPDKVJSTLU-GZTJUZNOSA-N
XLogP1.36
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'}

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Related Compounds

n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
CID 44582799
N'-[4-(diethylamino)-2-hydroxybenzylidene]-4-nitrobenzohydrazide
CID 135400305
N'-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylidene]ethoxycarbohydrazide
CID 135401245
N-benzyl-4-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-4-oxobutanamide
CID 135401468
5-(diethylamino)-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135521597
N'-[4-(diethylamino)-2-hydroxybenzylidene]benzohydrazide
CID 135472455
US10196346, Example 10
CID 137129817
N'-(4-(Diethylamino)benzylidene)-2-hydroxybenzohydrazide
CID 6898897
4-(Diethylamino)-2-hydroxybenzaldehyde phenylhydrazone
CID 135458723
Methyl 2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazinecarboxylate
CID 135490324

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide (CID 135922678) is N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide is CN(C)c1ccc(/C=N/NC(=O)CCCCCC(=O)NO)c(O)c1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide?
The InChIKey is QKGYKPDKVJSTLU-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-20(2)13-9-8-12(14(21)10-13)11-17-18-15(22)6-4-3-5-7-16(23)19-24/h8-11,21,24H,3-7H2,1-2H3,(H,18,22)(H,19,23)/b17-11+.
What are the key properties of N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide?
N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide has a molecular weight of 336.39 g/mol, XLogP of 1.36, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]-N'-hydroxyheptanediamide is sourced from PubChem (CID 135922678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).