N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide

C22H24N4O3 — CID 135875953

IUPACN-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C22H24N4O3/c27-20-11-7-6-10-19(20)25-21(28)12-2-1-3-13-22(29)26-23-15-17-14-16-8-4-5-9-18(16)24-17/h4-11,14-15,24,27H,1-3,12-13H2,(H,25,28)(H,26,29)/b23-15+
InChIKeySAASSLAHTFVPMZ-HZHRSRAPSA-N
MW392.46 g/mol
LogP3.91
Rot. Bonds9

About N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide

N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide (PubChem CID 135875953) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide
PubChem CID135875953
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C22H24N4O3/c27-20-11-7-6-10-19(20)25-21(28)12-2-1-3-13-22(29)26-23-15-17-14-16-8-4-5-9-18(16)24-17/h4-11,14-15,24,27H,1-3,12-13H2,(H,25,28)(H,26,29)/b23-15+
InChIKeySAASSLAHTFVPMZ-HZHRSRAPSA-N
XLogP3.91
TPSA106.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.91
H-Bond Donors ≤ 54
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'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide
CID 44507497
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
CID 44507510
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44507470
N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
CID 44507893
N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506469
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide
CID 44507727
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506961
(2R)-2-hydroxy-N-[(E)-1H-indol-2-ylmethylideneamino]-2-phenylacetamide
CID 135832723
5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid
CID 44507513
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide?
The IUPAC name of N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide (CID 135875953) is N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide?
The canonical SMILES for N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide is O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc2ccccc2[nH]1.
What is the InChIKey of N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide?
The InChIKey is SAASSLAHTFVPMZ-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-20-11-7-6-10-19(20)25-21(28)12-2-1-3-13-22(29)26-23-15-17-14-16-8-4-5-9-18(16)24-17/h4-11,14-15,24,27H,1-3,12-13H2,(H,25,28)(H,26,29)/b23-15+.
What are the key properties of N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide?
N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide has a molecular weight of 392.46 g/mol, XLogP of 3.91, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide is sourced from PubChem (CID 135875953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).