15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide

C49H75N3O4 — CID 160629194

IUPAC15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
SMILESCCCCCCCCOc1ccc2[nH]cc(CCCC(=O)CCCCCCCCCCC(=O)NCCc3c[nH]c4ccc(OCCCCCCCC)cc34)c2c1
InChIInChI=1S/C49H75N3O4/c1-3-5-7-9-17-21-34-55-43-28-30-47-45(36-43)40(38-51-47)24-23-26-42(53)25-19-15-13-11-12-14-16-20-27-49(54)50-33-32-41-39-52-48-31-29-44(37-46(41)48)56-35-22-18-10-8-6-4-2/h28-31,36-39,51-52H,3-27,32-35H2,1-2H3,(H,50,54)
InChIKeyRHRXMYTVGQAGMF-UHFFFAOYSA-N
MW770.16 g/mol
LogP13.28
Rot. Bonds34

About 15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide

15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide (PubChem CID 160629194) has the molecular formula C49H75N3O4 and a molecular weight of 770.16 g/mol. Its IUPAC name is 15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide.

Molecular Properties

Compound Name15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
PubChem CID160629194
Molecular FormulaC49H75N3O4
Molecular Weight770.16 g/mol
Exact Mass769.58
IUPAC Name15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
SMILESCCCCCCCCOc1ccc2[nH]cc(CCCC(=O)CCCCCCCCCCC(=O)NCCc3c[nH]c4ccc(OCCCCCCCC)cc34)c2c1
InChIInChI=1S/C49H75N3O4/c1-3-5-7-9-17-21-34-55-43-28-30-47-45(36-43)40(38-51-47)24-23-26-42(53)25-19-15-13-11-12-14-16-20-27-49(54)50-33-32-41-39-52-48-31-29-44(37-46(41)48)56-35-22-18-10-8-6-4-2/h28-31,36-39,51-52H,3-27,32-35H2,1-2H3,(H,50,54)
InChIKeyRHRXMYTVGQAGMF-UHFFFAOYSA-N
XLogP13.28
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.16
LogP ≤ 513.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[2-(5-nitroso-1H-indol-3-yl)ethyl]icosanamide
CID 166686347
4-[[3-[2-[[(E)-icos-13-enoyl]amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 143884111
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
(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
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
CID 46888491
N-[2-[3,4-bis(sulfanylmethyl)phenoxy]ethyl]heptanamide
CID 139514619
5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one
CID 148521037
(5E,8E,11E,14E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosa-5,8,11,14-tetraenamide
CID 14420957

Frequently Asked Questions

What is the IUPAC name of 15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide?
The IUPAC name of 15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide (CID 160629194) is 15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide.
What is the SMILES notation for 15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide?
The canonical SMILES for 15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide is CCCCCCCCOc1ccc2[nH]cc(CCCC(=O)CCCCCCCCCCC(=O)NCCc3c[nH]c4ccc(OCCCCCCCC)cc34)c2c1.
What is the InChIKey of 15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide?
The InChIKey is RHRXMYTVGQAGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H75N3O4/c1-3-5-7-9-17-21-34-55-43-28-30-47-45(36-43)40(38-51-47)24-23-26-42(53)25-19-15-13-11-12-14-16-20-27-49(54)50-33-32-41-39-52-48-31-29-44(37-46(41)48)56-35-22-18-10-8-6-4-2/h28-31,36-39,51-52H,3-27,32-35H2,1-2H3,(H,50,54).
What are the key properties of 15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide?
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide has a molecular weight of 770.16 g/mol, XLogP of 13.28, 34 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide is sourced from PubChem (CID 160629194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).