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

C12H16N2O — CID 130400672

IUPACN-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide
SMILESCC(=O)NCC1CNc2ccccc2C1
InChIInChI=1S/C12H16N2O/c1-9(15)13-7-10-6-11-4-2-3-5-12(11)14-8-10/h2-5,10,14H,6-8H2,1H3,(H,13,15)
InChIKeyHMJNIQILHXFWII-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.41
Rot. Bonds2

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

N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide (PubChem CID 130400672) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide
PubChem CID130400672
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide
SMILESCC(=O)NCC1CNc2ccccc2C1
InChIInChI=1S/C12H16N2O/c1-9(15)13-7-10-6-11-4-2-3-5-12(11)14-8-10/h2-5,10,14H,6-8H2,1H3,(H,13,15)
InChIKeyHMJNIQILHXFWII-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide (CID 130400672) is N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide is CC(=O)NCC1CNc2ccccc2C1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide?
The InChIKey is HMJNIQILHXFWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)13-7-10-6-11-4-2-3-5-12(11)14-8-10/h2-5,10,14H,6-8H2,1H3,(H,13,15).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide?
N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.41, 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-3-ylmethyl)acetamide is sourced from PubChem (CID 130400672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).