N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide

C28H36N4O2 — CID 154851146

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)CN2CCCC3(CCN(C)C3)C2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H36N4O2/c1-31-15-13-28(19-31)12-5-14-32(20-28)18-27(33)30-16-24(21-8-10-22(34-2)11-9-21)25-17-29-26-7-4-3-6-23(25)26/h3-4,6-11,17,24,29H,5,12-16,18-20H2,1-2H3,(H,30,33)
InChIKeyGKGZLLHPIFMZFC-UHFFFAOYSA-N
MW460.62 g/mol
LogP3.84
Rot. Bonds7

About N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide (PubChem CID 154851146) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide
PubChem CID154851146
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)CN2CCCC3(CCN(C)C3)C2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H36N4O2/c1-31-15-13-28(19-31)12-5-14-32(20-28)18-27(33)30-16-24(21-8-10-22(34-2)11-9-21)25-17-29-26-7-4-3-6-23(25)26/h3-4,6-11,17,24,29H,5,12-16,18-20H2,1-2H3,(H,30,33)
InChIKeyGKGZLLHPIFMZFC-UHFFFAOYSA-N
XLogP3.84
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 9450428
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558536
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56542544
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 9006913
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112834288
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 24599797
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41242831
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 55343696

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide (CID 154851146) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide is COc1ccc(C(CNC(=O)CN2CCCC3(CCN(C)C3)C2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide?
The InChIKey is GKGZLLHPIFMZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-31-15-13-28(19-31)12-5-14-32(20-28)18-27(33)30-16-24(21-8-10-22(34-2)11-9-21)25-17-29-26-7-4-3-6-23(25)26/h3-4,6-11,17,24,29H,5,12-16,18-20H2,1-2H3,(H,30,33).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide has a molecular weight of 460.62 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide is sourced from PubChem (CID 154851146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).