N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide

C22H27N3O5 — CID 44506469

IUPACN'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
SMILESO=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(OCCO)cc1
InChIInChI=1S/C22H27N3O5/c26-14-15-30-18-12-10-17(11-13-18)16-23-25-22(29)9-3-1-2-8-21(28)24-19-6-4-5-7-20(19)27/h4-7,10-13,16,26-27H,1-3,8-9,14-15H2,(H,24,28)(H,25,29)/b23-16+
InChIKeyHRHDPJYCWLFOOJ-XQNSMLJCSA-N
MW413.47 g/mol
LogP2.80
Rot. Bonds12

About N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide

N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide (PubChem CID 44506469) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide.

Molecular Properties

Compound NameN'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
PubChem CID44506469
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
SMILESO=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(OCCO)cc1
InChIInChI=1S/C22H27N3O5/c26-14-15-30-18-12-10-17(11-13-18)16-23-25-22(29)9-3-1-2-8-21(28)24-19-6-4-5-7-20(19)27/h4-7,10-13,16,26-27H,1-3,8-9,14-15H2,(H,24,28)(H,25,29)/b23-16+
InChIKeyHRHDPJYCWLFOOJ-XQNSMLJCSA-N
XLogP2.80
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23864469
N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
CID 44507893
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506961
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
CID 44507510
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide
CID 135875953
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide?
The IUPAC name of N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide (CID 44506469) is N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide.
What is the SMILES notation for N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide?
The canonical SMILES for N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide is O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(OCCO)cc1.
What is the InChIKey of N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide?
The InChIKey is HRHDPJYCWLFOOJ-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H27N3O5/c26-14-15-30-18-12-10-17(11-13-18)16-23-25-22(29)9-3-1-2-8-21(28)24-19-6-4-5-7-20(19)27/h4-7,10-13,16,26-27H,1-3,8-9,14-15H2,(H,24,28)(H,25,29)/b23-16+.
What are the key properties of N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide?
N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide has a molecular weight of 413.47 g/mol, XLogP of 2.80, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide is sourced from PubChem (CID 44506469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).