2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide

C14H19N3O2 — CID 4876629

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCc2ccccc2C1
InChIInChI=1S/C14H19N3O2/c1-10(13(18)16-14(19)15-2)17-8-7-11-5-3-4-6-12(11)9-17/h3-6,10H,7-9H2,1-2H3,(H2,15,16,18,19)
InChIKeyMROMMWUHSJLALI-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.89
Rot. Bonds2

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide (PubChem CID 4876629) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide
PubChem CID4876629
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCc2ccccc2C1
InChIInChI=1S/C14H19N3O2/c1-10(13(18)16-14(19)15-2)17-8-7-11-5-3-4-6-12(11)9-17/h3-6,10H,7-9H2,1-2H3,(H2,15,16,18,19)
InChIKeyMROMMWUHSJLALI-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide (CID 4876629) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide?
The InChIKey is MROMMWUHSJLALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(13(18)16-14(19)15-2)17-8-7-11-5-3-4-6-12(11)9-17/h3-6,10H,7-9H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide has a molecular weight of 261.33 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 4876629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).