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

C25H29N3O2 — CID 25210132

IUPACN-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(=O)C3CCC3)c2c1
InChIInChI=1S/C25H29N3O2/c1-30-19-9-10-22-21(15-19)20(11-13-26-25(29)18-6-4-7-18)23(27-22)16-28-14-12-17-5-2-3-8-24(17)28/h2-3,5,8-10,15,18,27H,4,6-7,11-14,16H2,1H3,(H,26,29)
InChIKeyRSFDBNGUELUOMT-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.20
Rot. Bonds7

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

N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide (PubChem CID 25210132) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide
PubChem CID25210132
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(=O)C3CCC3)c2c1
InChIInChI=1S/C25H29N3O2/c1-30-19-9-10-22-21(15-19)20(11-13-26-25(29)18-6-4-7-18)23(27-22)16-28-14-12-17-5-2-3-8-24(17)28/h2-3,5,8-10,15,18,27H,4,6-7,11-14,16H2,1H3,(H,26,29)
InChIKeyRSFDBNGUELUOMT-UHFFFAOYSA-N
XLogP4.20
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.20
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-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide (CID 25210132) is N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide is COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(=O)C3CCC3)c2c1.
What is the InChIKey of N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is RSFDBNGUELUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-30-19-9-10-22-21(15-19)20(11-13-26-25(29)18-6-4-7-18)23(27-22)16-28-14-12-17-5-2-3-8-24(17)28/h2-3,5,8-10,15,18,27H,4,6-7,11-14,16H2,1H3,(H,26,29).
What are the key properties of N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide?
N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 25210132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).