furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium

C25H28N3O3+ — CID 8621250

IUPACfuran-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc([C@@H](CNC(=O)C[NH+](C)Cc2ccco2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H27N3O3/c1-28(16-20-6-5-13-31-20)17-25(29)27-14-22(18-9-11-19(30-2)12-10-18)23-15-26-24-8-4-3-7-21(23)24/h3-13,15,22,26H,14,16-17H2,1-2H3,(H,27,29)/p+1/t22-/m1/s1
InChIKeyZODGAWDRZFYFQX-JOCHJYFZSA-O
MW418.52 g/mol
LogP2.73
Rot. Bonds9

About furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium

furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium (PubChem CID 8621250) has the molecular formula C25H28N3O3+ and a molecular weight of 418.52 g/mol. Its IUPAC name is furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium
PubChem CID8621250
Molecular FormulaC25H28N3O3+
Molecular Weight418.52 g/mol
Exact Mass418.21
IUPAC Namefuran-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc([C@@H](CNC(=O)C[NH+](C)Cc2ccco2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H27N3O3/c1-28(16-20-6-5-13-31-20)17-25(29)27-14-22(18-9-11-19(30-2)12-10-18)23-15-26-24-8-4-3-7-21(23)24/h3-13,15,22,26H,14,16-17H2,1-2H3,(H,27,29)/p+1/t22-/m1/s1
InChIKeyZODGAWDRZFYFQX-JOCHJYFZSA-O
XLogP2.73
TPSA71.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 25499108
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 2459996
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 43061749
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
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

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium?
The IUPAC name of furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium (CID 8621250) is furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium is COc1ccc([C@@H](CNC(=O)C[NH+](C)Cc2ccco2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium?
The InChIKey is ZODGAWDRZFYFQX-JOCHJYFZSA-O. The full InChI is InChI=1S/C25H27N3O3/c1-28(16-20-6-5-13-31-20)17-25(29)27-14-22(18-9-11-19(30-2)12-10-18)23-15-26-24-8-4-3-7-21(23)24/h3-13,15,22,26H,14,16-17H2,1-2H3,(H,27,29)/p+1/t22-/m1/s1.
What are the key properties of furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium?
furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 418.52 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8621250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).