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

C13H18N2O — CID 122188225

IUPACN-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide
SMILESCCC(=O)NCC1CCc2ccccc2N1
InChIInChI=1S/C13H18N2O/c1-2-13(16)14-9-11-8-7-10-5-3-4-6-12(10)15-11/h3-6,11,15H,2,7-9H2,1H3,(H,14,16)
InChIKeyLNNXOIQESMKYBZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.94
Rot. Bonds3

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

N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide (PubChem CID 122188225) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide
PubChem CID122188225
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide
SMILESCCC(=O)NCC1CCc2ccccc2N1
InChIInChI=1S/C13H18N2O/c1-2-13(16)14-9-11-8-7-10-5-3-4-6-12(10)15-11/h3-6,11,15H,2,7-9H2,1H3,(H,14,16)
InChIKeyLNNXOIQESMKYBZ-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide (CID 122188225) is N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide is CCC(=O)NCC1CCc2ccccc2N1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide?
The InChIKey is LNNXOIQESMKYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-13(16)14-9-11-8-7-10-5-3-4-6-12(10)15-11/h3-6,11,15H,2,7-9H2,1H3,(H,14,16).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide?
N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propanamide has a molecular weight of 218.30 g/mol, XLogP of 1.94, 3 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-2-ylmethyl)propanamide is sourced from PubChem (CID 122188225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).