6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide

C26H31N3O2 — CID 45193842

IUPAC6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC12CCN(Cc1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C26H31N3O2/c1-31-24-9-5-3-6-19(24)10-13-27-25(30)22-17-26(22)11-14-29(15-12-26)18-21-16-20-7-2-4-8-23(20)28-21/h2-9,16,22,28H,10-15,17-18H2,1H3,(H,27,30)
InChIKeyJAGOQPOBORLHKX-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.14
Rot. Bonds7

About 6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide

6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45193842) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45193842
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC12CCN(Cc1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C26H31N3O2/c1-31-24-9-5-3-6-19(24)10-13-27-25(30)22-17-26(22)11-14-29(15-12-26)18-21-16-20-7-2-4-8-23(20)28-21/h2-9,16,22,28H,10-15,17-18H2,1H3,(H,27,30)
InChIKeyJAGOQPOBORLHKX-UHFFFAOYSA-N
XLogP4.14
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45193842) is 6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is COc1ccccc1CCNC(=O)C1CC12CCN(Cc1cc3ccccc3[nH]1)CC2.
What is the InChIKey of 6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is JAGOQPOBORLHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-31-24-9-5-3-6-19(24)10-13-27-25(30)22-17-26(22)11-14-29(15-12-26)18-21-16-20-7-2-4-8-23(20)28-21/h2-9,16,22,28H,10-15,17-18H2,1H3,(H,27,30).
What are the key properties of 6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-2-ylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45193842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).