N-(1H-indol-3-ylmethylideneamino)hexadecanamide

C25H39N3O — CID 136905846

IUPACN-(1H-indol-3-ylmethylideneamino)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25(29)28-27-21-22-20-26-24-18-16-15-17-23(22)24/h15-18,20-21,26H,2-14,19H2,1H3,(H,28,29)
InChIKeyIYLSLFLLKZBIQF-UHFFFAOYSA-N
MW397.61 g/mol
LogP7.10
Rot. Bonds16

About N-(1H-indol-3-ylmethylideneamino)hexadecanamide

N-(1H-indol-3-ylmethylideneamino)hexadecanamide (PubChem CID 136905846) has the molecular formula C25H39N3O and a molecular weight of 397.61 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)hexadecanamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)hexadecanamide
PubChem CID136905846
Molecular FormulaC25H39N3O
Molecular Weight397.61 g/mol
Exact Mass397.31
IUPAC NameN-(1H-indol-3-ylmethylideneamino)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25(29)28-27-21-22-20-26-24-18-16-15-17-23(22)24/h15-18,20-21,26H,2-14,19H2,1H3,(H,28,29)
InChIKeyIYLSLFLLKZBIQF-UHFFFAOYSA-N
XLogP7.10
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.61
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4153907
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[5-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]heptanamide
CID 137060109
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide
CID 135678489
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-4-oxobutanamide
CID 172933261
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide
CID 135569761
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-(1H-indol-3-ylmethylideneamino)-3-(4-methylpiperazin-1-yl)propanamide
CID 790904
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)hexadecanamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)hexadecanamide (CID 136905846) is N-(1H-indol-3-ylmethylideneamino)hexadecanamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)hexadecanamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NN=Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)hexadecanamide?
The InChIKey is IYLSLFLLKZBIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25(29)28-27-21-22-20-26-24-18-16-15-17-23(22)24/h15-18,20-21,26H,2-14,19H2,1H3,(H,28,29).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)hexadecanamide?
N-(1H-indol-3-ylmethylideneamino)hexadecanamide has a molecular weight of 397.61 g/mol, XLogP of 7.10, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)hexadecanamide is sourced from PubChem (CID 136905846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).