[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium

C21H26N3O2+ — CID 8789196

IUPAC[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)CC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O2/c1-24(14-16-6-5-7-18(12-16)26-2)15-21(25)22-11-10-17-13-23-20-9-4-3-8-19(17)20/h3-9,12-13,23H,10-11,14-15H2,1-2H3,(H,22,25)/p+1
InChIKeyNTDTWIQJCDROFO-UHFFFAOYSA-O
MW352.46 g/mol
LogP1.55
Rot. Bonds8

About [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium

[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium (PubChem CID 8789196) has the molecular formula C21H26N3O2+ and a molecular weight of 352.46 g/mol. Its IUPAC name is [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
PubChem CID8789196
Molecular FormulaC21H26N3O2+
Molecular Weight352.46 g/mol
Exact Mass352.20
IUPAC Name[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)CC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O2/c1-24(14-16-6-5-7-18(12-16)26-2)15-21(25)22-11-10-17-13-23-20-9-4-3-8-19(17)20/h3-9,12-13,23H,10-11,14-15H2,1-2H3,(H,22,25)/p+1
InChIKeyNTDTWIQJCDROFO-UHFFFAOYSA-O
XLogP1.55
TPSA58.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium
CID 8789058
benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium
CID 8564281
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789204
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium (CID 8789196) is [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium is COc1cccc(C[NH+](C)CC(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The InChIKey is NTDTWIQJCDROFO-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O2/c1-24(14-16-6-5-7-18(12-16)26-2)15-21(25)22-11-10-17-13-23-20-9-4-3-8-19(17)20/h3-9,12-13,23H,10-11,14-15H2,1-2H3,(H,22,25)/p+1.
What are the key properties of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium has a molecular weight of 352.46 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8789196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).