N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide

C26H31N3O2 — CID 176842246

IUPACN-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCC2(CCCO2)CC1c1ccc(NC=O)cc1
InChIInChI=1S/C26H31N3O2/c1-18-14-19(2)25-22(8-11-27-25)23(18)16-29-12-10-26(9-3-13-31-26)15-24(29)20-4-6-21(7-5-20)28-17-30/h4-8,11,14,17,24,27H,3,9-10,12-13,15-16H2,1-2H3,(H,28,30)
InChIKeyGGIFZSQXLWOLFP-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.24
Rot. Bonds5

About N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide

N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide (PubChem CID 176842246) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide
PubChem CID176842246
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCC2(CCCO2)CC1c1ccc(NC=O)cc1
InChIInChI=1S/C26H31N3O2/c1-18-14-19(2)25-22(8-11-27-25)23(18)16-29-12-10-26(9-3-13-31-26)15-24(29)20-4-6-21(7-5-20)28-17-30/h4-8,11,14,17,24,27H,3,9-10,12-13,15-16H2,1-2H3,(H,28,30)
InChIKeyGGIFZSQXLWOLFP-UHFFFAOYSA-N
XLogP5.24
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide?
The IUPAC name of N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide (CID 176842246) is N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide.
What is the SMILES notation for N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide?
The canonical SMILES for N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide is Cc1cc(C)c2[nH]ccc2c1CN1CCC2(CCCO2)CC1c1ccc(NC=O)cc1.
What is the InChIKey of N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide?
The InChIKey is GGIFZSQXLWOLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-18-14-19(2)25-22(8-11-27-25)23(18)16-29-12-10-26(9-3-13-31-26)15-24(29)20-4-6-21(7-5-20)28-17-30/h4-8,11,14,17,24,27H,3,9-10,12-13,15-16H2,1-2H3,(H,28,30).
What are the key properties of N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide?
N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide has a molecular weight of 417.55 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]phenyl]formamide is sourced from PubChem (CID 176842246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).