benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium

C21H26N3O+ — CID 8564281

IUPACbenzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C21H25N3O/c1-2-24(15-17-8-4-3-5-9-17)16-21(25)22-13-12-18-14-23-20-11-7-6-10-19(18)20/h3-11,14,23H,2,12-13,15-16H2,1H3,(H,22,25)/p+1
InChIKeyJANXGQVZHYLIMX-UHFFFAOYSA-O
MW336.46 g/mol
LogP1.93
Rot. Bonds8

About benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium

benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium (PubChem CID 8564281) has the molecular formula C21H26N3O+ and a molecular weight of 336.46 g/mol. Its IUPAC name is benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium
PubChem CID8564281
Molecular FormulaC21H26N3O+
Molecular Weight336.46 g/mol
Exact Mass336.21
IUPAC Namebenzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C21H25N3O/c1-2-24(15-17-8-4-3-5-9-17)16-21(25)22-13-12-18-14-23-20-11-7-6-10-19(18)20/h3-11,14,23H,2,12-13,15-16H2,1H3,(H,22,25)/p+1
InChIKeyJANXGQVZHYLIMX-UHFFFAOYSA-O
XLogP1.93
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789196
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018

Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium?
The IUPAC name of benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium (CID 8564281) is benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium.
What is the SMILES notation for benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium?
The canonical SMILES for benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium is CC[NH+](CC(=O)NCCc1c[nH]c2ccccc12)Cc1ccccc1.
What is the InChIKey of benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium?
The InChIKey is JANXGQVZHYLIMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O/c1-2-24(15-17-8-4-3-5-9-17)16-21(25)22-13-12-18-14-23-20-11-7-6-10-19(18)20/h3-11,14,23H,2,12-13,15-16H2,1H3,(H,22,25)/p+1.
What are the key properties of benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium?
benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium has a molecular weight of 336.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8564281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).