N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide

C12H16N2O — CID 165439324

IUPACN-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide
SMILESCC(=O)NCC1CCNc2ccccc21
InChIInChI=1S/C12H16N2O/c1-9(15)14-8-10-6-7-13-12-5-3-2-4-11(10)12/h2-5,10,13H,6-8H2,1H3,(H,14,15)
InChIKeyLICJSTXQLSZIMQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.72
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide

N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide (PubChem CID 165439324) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide
PubChem CID165439324
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide
SMILESCC(=O)NCC1CCNc2ccccc21
InChIInChI=1S/C12H16N2O/c1-9(15)14-8-10-6-7-13-12-5-3-2-4-11(10)12/h2-5,10,13H,6-8H2,1H3,(H,14,15)
InChIKeyLICJSTXQLSZIMQ-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)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

2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide
CID 165439492
N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide
CID 11780382
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine
CID 102913688
4-(ethylsulfonylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104486
4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
CID 119093179
4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid
CID 67780838
2-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine
CID 102698687
(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106147953
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide (CID 165439324) is N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide is CC(=O)NCC1CCNc2ccccc21.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide?
The InChIKey is LICJSTXQLSZIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)14-8-10-6-7-13-12-5-3-2-4-11(10)12/h2-5,10,13H,6-8H2,1H3,(H,14,15).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide?
N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide is sourced from PubChem (CID 165439324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).