N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide

C19H27N3O3 — CID 44507497

IUPACN-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide
SMILESC=CCC/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O
InChIInChI=1S/C19H27N3O3/c1-2-3-10-15-20-22-19(25)14-7-5-4-6-13-18(24)21-16-11-8-9-12-17(16)23/h2,8-9,11-12,15,23H,1,3-7,10,13-14H2,(H,21,24)(H,22,25)/b20-15+
InChIKeyWTHONBTVRFKAAH-HMMYKYKNSA-N
MW345.44 g/mol
LogP3.74
Rot. Bonds12

About N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide

N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide (PubChem CID 44507497) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide
PubChem CID44507497
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide
SMILESC=CCC/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O
InChIInChI=1S/C19H27N3O3/c1-2-3-10-15-20-22-19(25)14-7-5-4-6-13-18(24)21-16-11-8-9-12-17(16)23/h2,8-9,11-12,15,23H,1,3-7,10,13-14H2,(H,21,24)(H,22,25)/b20-15+
InChIKeyWTHONBTVRFKAAH-HMMYKYKNSA-N
XLogP3.74
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.74
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
N-[(Z)-(2-hydroxyphenyl)methylideneamino]undec-10-enamide
CID 136802207
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
CID 44507510
N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide
CID 135875953
N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
CID 44507893
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid
CID 44507513
N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506469
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-(2-hydroxyphenyl)-6-[methyl(phenyl)phosphoryl]hexanamide
CID 118341051
N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide
CID 44507727

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide?
The IUPAC name of N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide (CID 44507497) is N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide?
The canonical SMILES for N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide is C=CCC/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide?
The InChIKey is WTHONBTVRFKAAH-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-3-10-15-20-22-19(25)14-7-5-4-6-13-18(24)21-16-11-8-9-12-17(16)23/h2,8-9,11-12,15,23H,1,3-7,10,13-14H2,(H,21,24)(H,22,25)/b20-15+.
What are the key properties of N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide?
N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide has a molecular weight of 345.44 g/mol, XLogP of 3.74, 12 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)-pent-4-enylideneamino]octanediamide is sourced from PubChem (CID 44507497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).