[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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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).