N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide

C30H49N3O2 — CID 166686347

IUPACN-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(N=O)cc12
InChIInChI=1S/C30H49N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33-35)24-28(26)29/h20-21,24-25,32H,2-19,22-23H2,1H3,(H,31,34)
InChIKeyCKQZXHMPNPWQHG-UHFFFAOYSA-N
MW483.74 g/mol
LogP9.27
Rot. Bonds22

About N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide

N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide (PubChem CID 166686347) has the molecular formula C30H49N3O2 and a molecular weight of 483.74 g/mol. Its IUPAC name is N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide.

Molecular Properties

Compound NameN-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide
PubChem CID166686347
Molecular FormulaC30H49N3O2
Molecular Weight483.74 g/mol
Exact Mass483.38
IUPAC NameN-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(N=O)cc12
InChIInChI=1S/C30H49N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33-35)24-28(26)29/h20-21,24-25,32H,2-19,22-23H2,1H3,(H,31,34)
InChIKeyCKQZXHMPNPWQHG-UHFFFAOYSA-N
XLogP9.27
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 59.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6Z,9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-6,9,12-trienamide
CID 24749163
(9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12-dienamide
CID 24749267
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194
(5E,8E,11E,14E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosa-5,8,11,14-tetraenamide
CID 14420957
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide
CID 160522251
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124
(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide
CID 171117139
4-[[3-[2-[[(E)-icos-13-enoyl]amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 143884111
5-O-[3-[2-(icosanoylamino)ethyl]-1H-indol-5-yl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethyl] pentanedioate
CID 172994497
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
(4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 171042317
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide?
The IUPAC name of N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide (CID 166686347) is N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide.
What is the SMILES notation for N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide?
The canonical SMILES for N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide is CCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(N=O)cc12.
What is the InChIKey of N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide?
The InChIKey is CKQZXHMPNPWQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33-35)24-28(26)29/h20-21,24-25,32H,2-19,22-23H2,1H3,(H,31,34).
What are the key properties of N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide?
N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide has a molecular weight of 483.74 g/mol, XLogP of 9.27, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide is sourced from PubChem (CID 166686347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).