N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide

C23H27N3O2 — CID 25210133

IUPACN-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(CN3CCc4cc(C)ccc43)c(CCNC(C)=O)c2c1
InChIInChI=1S/C23H27N3O2/c1-15-4-7-23-17(12-15)9-11-26(23)14-22-19(8-10-24-16(2)27)20-13-18(28-3)5-6-21(20)25-22/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,24,27)
InChIKeyQJLUEDMERSXIPJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.73
Rot. Bonds6

About N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide

N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide (PubChem CID 25210133) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
PubChem CID25210133
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(CN3CCc4cc(C)ccc43)c(CCNC(C)=O)c2c1
InChIInChI=1S/C23H27N3O2/c1-15-4-7-23-17(12-15)9-11-26(23)14-22-19(8-10-24-16(2)27)20-13-18(28-3)5-6-21(20)25-22/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,24,27)
InChIKeyQJLUEDMERSXIPJ-UHFFFAOYSA-N
XLogP3.73
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide (CID 25210133) is N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide is COc1ccc2[nH]c(CN3CCc4cc(C)ccc43)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is QJLUEDMERSXIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-4-7-23-17(12-15)9-11-26(23)14-22-19(8-10-24-16(2)27)20-13-18(28-3)5-6-21(20)25-22/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methoxy-2-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 25210133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).