[2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate

C16H21N3O3 — CID 59128612

IUPAC[2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate
SMILESCNC(=O)COC(=O)NCCCCn1ccc2ccccc21
InChIInChI=1S/C16H21N3O3/c1-17-15(20)12-22-16(21)18-9-4-5-10-19-11-8-13-6-2-3-7-14(13)19/h2-3,6-8,11H,4-5,9-10,12H2,1H3,(H,17,20)(H,18,21)
InChIKeyLVSWQOLVVSUGRE-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.89
Rot. Bonds7

About [2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate

[2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate (PubChem CID 59128612) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate
PubChem CID59128612
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate
SMILESCNC(=O)COC(=O)NCCCCn1ccc2ccccc21
InChIInChI=1S/C16H21N3O3/c1-17-15(20)12-22-16(21)18-9-4-5-10-19-11-8-13-6-2-3-7-14(13)19/h2-3,6-8,11H,4-5,9-10,12H2,1H3,(H,17,20)(H,18,21)
InChIKeyLVSWQOLVVSUGRE-UHFFFAOYSA-N
XLogP1.89
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640
tert-butyl N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111341670
2-ethylhexyl N-(2-indol-1-ylethyl)carbamate
CID 108726422
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 110911712
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate
CID 134050299

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate (CID 59128612) is [2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate is CNC(=O)COC(=O)NCCCCn1ccc2ccccc21.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate?
The InChIKey is LVSWQOLVVSUGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-17-15(20)12-22-16(21)18-9-4-5-10-19-11-8-13-6-2-3-7-14(13)19/h2-3,6-8,11H,4-5,9-10,12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of [2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate?
[2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate has a molecular weight of 303.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate is sourced from PubChem (CID 59128612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).