1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone

C23H28N2O2 — CID 58968242

IUPAC1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
SMILESCCc1cccc2c(C(C)=O)cn(CCCNCCOc3ccccc3)c12
InChIInChI=1S/C23H28N2O2/c1-3-19-9-7-12-21-22(18(2)26)17-25(23(19)21)15-8-13-24-14-16-27-20-10-5-4-6-11-20/h4-7,9-12,17,24H,3,8,13-16H2,1-2H3
InChIKeyLHIKWHCZDNJZIU-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.47
Rot. Bonds10

About 1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone

1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone (PubChem CID 58968242) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
PubChem CID58968242
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
SMILESCCc1cccc2c(C(C)=O)cn(CCCNCCOc3ccccc3)c12
InChIInChI=1S/C23H28N2O2/c1-3-19-9-7-12-21-22(18(2)26)17-25(23(19)21)15-8-13-24-14-16-27-20-10-5-4-6-11-20/h4-7,9-12,17,24H,3,8,13-16H2,1-2H3
InChIKeyLHIKWHCZDNJZIU-UHFFFAOYSA-N
XLogP4.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.47
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

1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone
CID 21380867
2-(3-acetyl-7-ethylindol-1-yl)acetic acid
CID 6489109
1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone
CID 58968460
N-[(3,4-dichlorophenyl)methyl]-7-ethyl-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide
CID 58967876
1-(1-butyl-7-chloroindol-3-yl)ethanone
CID 117098510
4-(3-acetyl-7-methylindol-1-yl)butanoic acid
CID 117098575
N-ethyl-2-(2-phenoxyethylamino)acetamide
CID 60674230
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
1'-[3-(3-acetyl-7-ethylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 58968020
2-(2-phenoxyethylamino)acetic acid
CID 13236095
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone
CID 21380859

Frequently Asked Questions

What is the IUPAC name of 1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone?
The IUPAC name of 1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone (CID 58968242) is 1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone is CCc1cccc2c(C(C)=O)cn(CCCNCCOc3ccccc3)c12.
What is the InChIKey of 1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone?
The InChIKey is LHIKWHCZDNJZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-19-9-7-12-21-22(18(2)26)17-25(23(19)21)15-8-13-24-14-16-27-20-10-5-4-6-11-20/h4-7,9-12,17,24H,3,8,13-16H2,1-2H3.
What are the key properties of 1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone?
1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone has a molecular weight of 364.49 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 58968242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).