[2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride

C18H26ClN3O3 — CID 110188518

IUPAC[2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride
SMILESCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C18H25N3O3.ClH/c1-5-24-18(23)16(20-17(22)12-21(2,3)4)10-13-11-19-15-9-7-6-8-14(13)15;/h6-9,11,16,19H,5,10,12H2,1-4H3;1H
InChIKeyKQGPFWDCULVORT-UHFFFAOYSA-N
MW367.88 g/mol
LogP-1.53
Rot. Bonds7

About [2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride

[2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride (PubChem CID 110188518) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is [2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride
PubChem CID110188518
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name[2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride
SMILESCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C18H25N3O3.ClH/c1-5-24-18(23)16(20-17(22)12-21(2,3)4)10-13-11-19-15-9-7-6-8-14(13)15;/h6-9,11,16,19H,5,10,12H2,1-4H3;1H
InChIKeyKQGPFWDCULVORT-UHFFFAOYSA-N
XLogP-1.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[2-[[(2S)-1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium
CID 57007606
ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
CID 3674807
ethyl (2S)-3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
CID 7033511
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 69130545
ethyl (2S)-3-(1H-indol-3-yl)-2-[(4-pentoxybenzoyl)amino]propanoate
CID 7587597
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 40819780
ethyl 2-[[2-(1-aminobutyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 3810868
ethyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 3782207

Frequently Asked Questions

What is the IUPAC name of [2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride?
The IUPAC name of [2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride (CID 110188518) is [2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride.
What is the SMILES notation for [2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride?
The canonical SMILES for [2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride is CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of [2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride?
The InChIKey is KQGPFWDCULVORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-5-24-18(23)16(20-17(22)12-21(2,3)4)10-13-11-19-15-9-7-6-8-14(13)15;/h6-9,11,16,19H,5,10,12H2,1-4H3;1H.
What are the key properties of [2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride?
[2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride has a molecular weight of 367.88 g/mol, XLogP of -1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride is sourced from PubChem (CID 110188518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).