4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine

C38H44N2O3 — CID 91321039

IUPAC4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine
SMILESCC(C)c1ccccc1-c1cn(CCCOc2cccc3ccccc23)c2ccc(OCCCCN3CCOCC3)cc12
InChIInChI=1S/C38H44N2O3/c1-29(2)32-13-5-6-15-34(32)36-28-40(20-10-24-43-38-16-9-12-30-11-3-4-14-33(30)38)37-18-17-31(27-35(36)37)42-23-8-7-19-39-21-25-41-26-22-39/h3-6,9,11-18,27-29H,7-8,10,19-26H2,1-2H3
InChIKeyRLGGZNHFXOJLLM-UHFFFAOYSA-N
MW576.78 g/mol
LogP8.55
Rot. Bonds13

About 4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine

4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine (PubChem CID 91321039) has the molecular formula C38H44N2O3 and a molecular weight of 576.78 g/mol. Its IUPAC name is 4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine.

Molecular Properties

Compound Name4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine
PubChem CID91321039
Molecular FormulaC38H44N2O3
Molecular Weight576.78 g/mol
Exact Mass576.34
IUPAC Name4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine
SMILESCC(C)c1ccccc1-c1cn(CCCOc2cccc3ccccc23)c2ccc(OCCCCN3CCOCC3)cc12
InChIInChI=1S/C38H44N2O3/c1-29(2)32-13-5-6-15-34(32)36-28-40(20-10-24-43-38-16-9-12-30-11-3-4-14-33(30)38)37-18-17-31(27-35(36)37)42-23-8-7-19-39-21-25-41-26-22-39/h3-6,9,11-18,27-29H,7-8,10,19-26H2,1-2H3
InChIKeyRLGGZNHFXOJLLM-UHFFFAOYSA-N
XLogP8.55
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.78
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-morpholin-4-ylbutoxy)-1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indole-2-carboxylic acid
CID 67315499
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
ethyl 1-(3-naphthalen-1-yloxypropyl)-5-phenylmethoxy-3-(2-propan-2-ylphenyl)indole-2-carboxylate
CID 67316990
4-[3-(5-ethoxy-1-propylindol-3-yl)propyl]morpholine
CID 170871037
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine
CID 71722358
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine?
The IUPAC name of 4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine (CID 91321039) is 4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine.
What is the SMILES notation for 4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine?
The canonical SMILES for 4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine is CC(C)c1ccccc1-c1cn(CCCOc2cccc3ccccc23)c2ccc(OCCCCN3CCOCC3)cc12.
What is the InChIKey of 4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine?
The InChIKey is RLGGZNHFXOJLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N2O3/c1-29(2)32-13-5-6-15-34(32)36-28-40(20-10-24-43-38-16-9-12-30-11-3-4-14-33(30)38)37-18-17-31(27-35(36)37)42-23-8-7-19-39-21-25-41-26-22-39/h3-6,9,11-18,27-29H,7-8,10,19-26H2,1-2H3.
What are the key properties of 4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine?
4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine has a molecular weight of 576.78 g/mol, XLogP of 8.55, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-naphthalen-1-yloxypropyl)-3-(2-propan-2-ylphenyl)indol-5-yl]oxybutyl]morpholine is sourced from PubChem (CID 91321039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).