N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide

C25H29N3O3 — CID 178132617

IUPACN-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide
SMILESCC(=O)Nc1cccc2c(C(=O)N3CCOCC3)cn(CCCCc3ccccc3)c12
InChIInChI=1S/C25H29N3O3/c1-19(29)26-23-12-7-11-21-22(25(30)27-14-16-31-17-15-27)18-28(24(21)23)13-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,18H,5-6,10,13-17H2,1H3,(H,26,29)
InChIKeyWJDQAKNESHMIAG-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.09
Rot. Bonds7

About N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide

N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide (PubChem CID 178132617) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide
PubChem CID178132617
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide
SMILESCC(=O)Nc1cccc2c(C(=O)N3CCOCC3)cn(CCCCc3ccccc3)c12
InChIInChI=1S/C25H29N3O3/c1-19(29)26-23-12-7-11-21-22(25(30)27-14-16-31-17-15-27)18-28(24(21)23)13-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,18H,5-6,10,13-17H2,1H3,(H,26,29)
InChIKeyWJDQAKNESHMIAG-UHFFFAOYSA-N
XLogP4.09
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132797
[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132606
[1-[4-(3-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132747
[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132839
4-[4-[4-methyl-3-(morpholine-4-carbonyl)indol-1-yl]butyl]benzoic acid
CID 178132818
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
CID 178132778
[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone
CID 178132612
[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132538
methyl 3-[4-[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]butyl]benzoate
CID 177244684
7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
CID 67255185
N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide
CID 22410598

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide (CID 178132617) is N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide is CC(=O)Nc1cccc2c(C(=O)N3CCOCC3)cn(CCCCc3ccccc3)c12.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide?
The InChIKey is WJDQAKNESHMIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-19(29)26-23-12-7-11-21-22(25(30)27-14-16-31-17-15-27)18-28(24(21)23)13-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,18H,5-6,10,13-17H2,1H3,(H,26,29).
What are the key properties of N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide?
N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide is sourced from PubChem (CID 178132617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).