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

C14H20N2O — CID 115104862

IUPACN-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
SMILESCC(C)NC(=O)Cc1cccc2c1CCNC2
InChIInChI=1S/C14H20N2O/c1-10(2)16-14(17)8-11-4-3-5-12-9-15-7-6-13(11)12/h3-5,10,15H,6-9H2,1-2H3,(H,16,17)
InChIKeyDJQYTMAPONMCLI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.40
Rot. Bonds3

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

N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide (PubChem CID 115104862) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
PubChem CID115104862
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
SMILESCC(C)NC(=O)Cc1cccc2c1CCNC2
InChIInChI=1S/C14H20N2O/c1-10(2)16-14(17)8-11-4-3-5-12-9-15-7-6-13(11)12/h3-5,10,15H,6-9H2,1-2H3,(H,16,17)
InChIKeyDJQYTMAPONMCLI-UHFFFAOYSA-N
XLogP1.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-propan-2-yl-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-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104851
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104961
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041
5-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104234
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 115105046
2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557620
N-(2-methylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558421
N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
CID 117125627
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-6-yl)propanoic acid
CID 105474158
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426618

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide (CID 115104862) is N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide is CC(C)NC(=O)Cc1cccc2c1CCNC2.
What is the InChIKey of N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The InChIKey is DJQYTMAPONMCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16-14(17)8-11-4-3-5-12-9-15-7-6-13(11)12/h3-5,10,15H,6-9H2,1-2H3,(H,16,17).
What are the key properties of N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide has a molecular weight of 232.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide is sourced from PubChem (CID 115104862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).