2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate

C13H17N3O3 — CID 83210191

IUPAC2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
SMILESNC(=O)OCCNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C13H17N3O3/c14-13(18)19-6-5-16-12(17)11-8-15-7-9-3-1-2-4-10(9)11/h1-4,11,15H,5-8H2,(H2,14,18)(H,16,17)
InChIKeyOSWYJJJOVLYQCH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.08
Rot. Bonds4

About 2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate

2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate (PubChem CID 83210191) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
PubChem CID83210191
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
SMILESNC(=O)OCCNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C13H17N3O3/c14-13(18)19-6-5-16-12(17)11-8-15-7-9-3-1-2-4-10(9)11/h1-4,11,15H,5-8H2,(H2,14,18)(H,16,17)
InChIKeyOSWYJJJOVLYQCH-UHFFFAOYSA-N
XLogP0.08
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.08
H-Bond Donors ≤ 53
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-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate?
The IUPAC name of 2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate (CID 83210191) is 2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate?
The canonical SMILES for 2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate is NC(=O)OCCNC(=O)C1CNCc2ccccc21.
What is the InChIKey of 2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate?
The InChIKey is OSWYJJJOVLYQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-13(18)19-6-5-16-12(17)11-8-15-7-9-3-1-2-4-10(9)11/h1-4,11,15H,5-8H2,(H2,14,18)(H,16,17).
What are the key properties of 2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate?
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate has a molecular weight of 263.30 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate is sourced from PubChem (CID 83210191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).