N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide

C15H20N2O — CID 115104851

IUPACN-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
SMILESO=C(Cc1cccc2c1CCNC2)NC1CCC1
InChIInChI=1S/C15H20N2O/c18-15(17-13-5-2-6-13)9-11-3-1-4-12-10-16-8-7-14(11)12/h1,3-4,13,16H,2,5-10H2,(H,17,18)
InChIKeyJTXAZYSUCAYSTA-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.54
Rot. Bonds3

About N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide

N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide (PubChem CID 115104851) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
PubChem CID115104851
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
SMILESO=C(Cc1cccc2c1CCNC2)NC1CCC1
InChIInChI=1S/C15H20N2O/c18-15(17-13-5-2-6-13)9-11-3-1-4-12-10-16-8-7-14(11)12/h1,3-4,13,16H,2,5-10H2,(H,17,18)
InChIKeyJTXAZYSUCAYSTA-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide 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

N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
N-cyclobutyl-3-(2,3-dihydro-1H-indol-4-yl)propanamide
CID 115105482
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 115105046
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine
CID 104557485
N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 115104820
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558719
N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558842
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-6-yl)propanoic acid
CID 105474158
N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558561
N-[(3-ethylthiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine
CID 104557608

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The IUPAC name of N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide (CID 115104851) is N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide.
What is the SMILES notation for N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The canonical SMILES for N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide is O=C(Cc1cccc2c1CCNC2)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The InChIKey is JTXAZYSUCAYSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(17-13-5-2-6-13)9-11-3-1-4-12-10-16-8-7-14(11)12/h1,3-4,13,16H,2,5-10H2,(H,17,18).
What are the key properties of N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide has a molecular weight of 244.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide is sourced from PubChem (CID 115104851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).