N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide

C25H25N3O2 — CID 135881498

IUPACN-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-2-3-4-9-17-28-22-16-8-7-14-21(22)23(25(28)30)26-27-24(29)20-15-10-12-18-11-5-6-13-19(18)20/h5-8,10-16,30H,2-4,9,17H2,1H3/b27-26+
InChIKeyXPKDARLFNIDWMZ-CYYJNZCTSA-N
MW399.49 g/mol
LogP7.00
Rot. Bonds7

About N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide

N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide (PubChem CID 135881498) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide
PubChem CID135881498
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-2-3-4-9-17-28-22-16-8-7-14-21(22)23(25(28)30)26-27-24(29)20-15-10-12-18-11-5-6-13-19(18)20/h5-8,10-16,30H,2-4,9,17H2,1H3/b27-26+
InChIKeyXPKDARLFNIDWMZ-CYYJNZCTSA-N
XLogP7.00
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazide
CID 135743701
Bzo-poxizid
CID 2691386
Bzo-chmoxizid
CID 135881485
4-((5-Fluoro-3-(hydroxyimino)-2-oxoindolin-1-yl)methyl)-N-hydroxybenzamide (6b)
CID 137224532
N-(1-Methyl-2-oxo-1,2-dihydro-indol-3-ylidene-hydrazinocarbonylmethyl)-benzamide
CID 821643
1-Allyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 3101769
1-Methyl-3-(o-tolyl-hydrazono)-1,3-dihydro-indol-2-one
CID 3101792
N'-[(3Z)-1-(1-Butyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 1581054
N'-[(3E)-1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide
CID 1626958
N'-[(3Z)-1-[(4-Chlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide
CID 4262768
(Z)-N'-(2-oxo-1-propylindolin-3-ylidene)benzohydrazide
CID 5030390
N-[(3Z)-1-Hexyl-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 135881473

Frequently Asked Questions

What is the IUPAC name of N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide?
The IUPAC name of N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide (CID 135881498) is N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide.
What is the SMILES notation for N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide?
The canonical SMILES for N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide is CCCCCCn1c(O)c(/N=N/C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide?
The InChIKey is XPKDARLFNIDWMZ-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-2-3-4-9-17-28-22-16-8-7-14-21(22)23(25(28)30)26-27-24(29)20-15-10-12-18-11-5-6-13-19(18)20/h5-8,10-16,30H,2-4,9,17H2,1H3/b27-26+.
What are the key properties of N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide?
N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 7.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hexyl-2-hydroxyindol-3-yl)iminonaphthalene-1-carboxamide is sourced from PubChem (CID 135881498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).