2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide

C15H22N4O2 — CID 61013825

IUPAC2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCc2c(N)cccc2C1
InChIInChI=1S/C15H22N4O2/c1-2-7-17-15(21)18-14(20)10-19-8-6-12-11(9-19)4-3-5-13(12)16/h3-5H,2,6-10,16H2,1H3,(H2,17,18,20,21)
InChIKeyZBWZUFRTPVRWFL-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.86
Rot. Bonds4

About 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide

2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide (PubChem CID 61013825) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide
PubChem CID61013825
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCc2c(N)cccc2C1
InChIInChI=1S/C15H22N4O2/c1-2-7-17-15(21)18-14(20)10-19-8-6-12-11(9-19)4-3-5-13(12)16/h3-5H,2,6-10,16H2,1H3,(H2,17,18,20,21)
InChIKeyZBWZUFRTPVRWFL-UHFFFAOYSA-N
XLogP0.86
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide (CID 61013825) is 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1CCc2c(N)cccc2C1.
What is the InChIKey of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide?
The InChIKey is ZBWZUFRTPVRWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-7-17-15(21)18-14(20)10-19-8-6-12-11(9-19)4-3-5-13(12)16/h3-5H,2,6-10,16H2,1H3,(H2,17,18,20,21).
What are the key properties of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide?
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 61013825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).