N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide

C22H27N3O3 — CID 44507510

IUPACN-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
SMILESCc1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O
InChIInChI=1S/C22H27N3O3/c1-17-10-6-7-11-18(17)16-23-25-22(28)15-5-3-2-4-14-21(27)24-19-12-8-9-13-20(19)26/h6-13,16,26H,2-5,14-15H2,1H3,(H,24,27)(H,25,28)/b23-16+
InChIKeyHJHCELYDBFOQDU-XQNSMLJCSA-N
MW381.48 g/mol
LogP4.13
Rot. Bonds10

About N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide

N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide (PubChem CID 44507510) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
PubChem CID44507510
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
SMILESCc1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O
InChIInChI=1S/C22H27N3O3/c1-17-10-6-7-11-18(17)16-23-25-22(28)15-5-3-2-4-14-21(27)24-19-12-8-9-13-20(19)26/h6-13,16,26H,2-5,14-15H2,1H3,(H,24,27)(H,25,28)/b23-16+
InChIKeyHJHCELYDBFOQDU-XQNSMLJCSA-N
XLogP4.13
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.13
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'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 136861998
N-[(2-methylphenyl)methylideneamino]undecanamide
CID 4136077
N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506961
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44507470
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide?
The IUPAC name of N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide (CID 44507510) is N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide?
The canonical SMILES for N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide is Cc1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide?
The InChIKey is HJHCELYDBFOQDU-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-10-6-7-11-18(17)16-23-25-22(28)15-5-3-2-4-14-21(27)24-19-12-8-9-13-20(19)26/h6-13,16,26H,2-5,14-15H2,1H3,(H,24,27)(H,25,28)/b23-16+.
What are the key properties of N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide?
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide has a molecular weight of 381.48 g/mol, XLogP of 4.13, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide is sourced from PubChem (CID 44507510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).