N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide

C20H23N3O3 — CID 23642529

IUPACN'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
SMILESO=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccc1
InChIInChI=1S/C20H23N3O3/c24-18-12-8-7-11-17(18)22-19(25)13-5-2-6-14-20(26)23-21-15-16-9-3-1-4-10-16/h1,3-4,7-12,15,24H,2,5-6,13-14H2,(H,22,25)(H,23,26)/b21-15+
InChIKeyDSXZBFNSYOQFQG-RCCKNPSSSA-N
MW353.42 g/mol
LogP3.43
Rot. Bonds9

About N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide

N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide (PubChem CID 23642529) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide.

Molecular Properties

Compound NameN'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
PubChem CID23642529
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
SMILESO=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccc1
InChIInChI=1S/C20H23N3O3/c24-18-12-8-7-11-17(18)22-19(25)13-5-2-6-14-20(26)23-21-15-16-9-3-1-4-10-16/h1,3-4,7-12,15,24H,2,5-6,13-14H2,(H,22,25)(H,23,26)/b21-15+
InChIKeyDSXZBFNSYOQFQG-RCCKNPSSSA-N
XLogP3.43
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
CID 44507893
N'-[(E)-benzylideneamino]-N-phenyloctanediamide
CID 23863272
N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506469
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
CID 44507510
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide
CID 44507497
methyl 8-[(2E)-2-benzylidenehydrazinyl]-8-oxooctanoate
CID 23864470
5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid
CID 44507513
N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide
CID 135875953
N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide
CID 44507727
N-[(E)-benzylideneamino]butanamide
CID 6872028

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide?
The IUPAC name of N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide (CID 23642529) is N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide.
What is the SMILES notation for N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide?
The canonical SMILES for N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide is O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccc1.
What is the InChIKey of N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide?
The InChIKey is DSXZBFNSYOQFQG-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18-12-8-7-11-17(18)22-19(25)13-5-2-6-14-20(26)23-21-15-16-9-3-1-4-10-16/h1,3-4,7-12,15,24H,2,5-6,13-14H2,(H,22,25)(H,23,26)/b21-15+.
What are the key properties of N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide?
N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide has a molecular weight of 353.42 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide is sourced from PubChem (CID 23642529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).