N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide

C15H19N3O3 — CID 108525597

IUPACN-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide
SMILESNCCCN(C=O)C(=O)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H19N3O3/c16-7-3-8-18(11-19)15(21)14(20)17-9-6-12-4-1-2-5-13(12)10-17/h1-2,4-5,11H,3,6-10,16H2
InChIKeyBXFXYOUJVKBPAW-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.09
Rot. Bonds4

About N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide

N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide (PubChem CID 108525597) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide
PubChem CID108525597
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide
SMILESNCCCN(C=O)C(=O)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H19N3O3/c16-7-3-8-18(11-19)15(21)14(20)17-9-6-12-4-1-2-5-13(12)10-17/h1-2,4-5,11H,3,6-10,16H2
InChIKeyBXFXYOUJVKBPAW-UHFFFAOYSA-N
XLogP-0.09
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-aminopropyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81493173
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 3453763
N-butyl-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989143
(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbut-2-en-1-one
CID 11264387
5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 27396946
2-[butyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 78791109
N-(3-aminopropyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
CID 57390335
4-chloro-1-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,2-dione
CID 139980455
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(dimethylamino)ethylamino]propan-1-one
CID 109016367
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
[1-(aminomethyl)cyclobutyl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 80599164

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide?
The IUPAC name of N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide (CID 108525597) is N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide is NCCCN(C=O)C(=O)C(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide?
The InChIKey is BXFXYOUJVKBPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-7-3-8-18(11-19)15(21)14(20)17-9-6-12-4-1-2-5-13(12)10-17/h1-2,4-5,11H,3,6-10,16H2.
What are the key properties of N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide?
N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide has a molecular weight of 289.34 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-formyl-2-oxoacetamide is sourced from PubChem (CID 108525597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).