3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide

C15H20F2N2O2 — CID 103206937

IUPAC3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide
SMILESO=C(CCOCC(F)F)NCc1cccc2c1NCCC2
InChIInChI=1S/C15H20F2N2O2/c16-13(17)10-21-8-6-14(20)19-9-12-4-1-3-11-5-2-7-18-15(11)12/h1,3-4,13,18H,2,5-10H2,(H,19,20)
InChIKeyKOMDSBAKSTWXHM-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.33
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide

3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide (PubChem CID 103206937) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide
PubChem CID103206937
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide
SMILESO=C(CCOCC(F)F)NCc1cccc2c1NCCC2
InChIInChI=1S/C15H20F2N2O2/c16-13(17)10-21-8-6-14(20)19-9-12-4-1-3-11-5-2-7-18-15(11)12/h1,3-4,13,18H,2,5-10H2,(H,19,20)
InChIKeyKOMDSBAKSTWXHM-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide 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-[(2R,4R)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464826
N-[(2R,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155465035
N-[(2S,4R)-6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155571780
N-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464406
N-[(2S,4R)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464697
methyl (2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-4-quinolinylcarbamate
CID 9836018
(2R, 4S)-2-ethyl-4-methoxycarbonylamino-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester
CID 10126361
methyl N-[(2S,4R)-2-methyl-5-[(2,2,2-trifluoroacetyl)amino]-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
CID 139148353
2-(6-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxan-4-yl)acetamide
CID 72008807
3-methoxy-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 121575903
3-ethoxy-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]propanamide
CID 125521534
Ethyl 4-amino-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate
CID 9944755

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide (CID 103206937) is 3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide is O=C(CCOCC(F)F)NCc1cccc2c1NCCC2.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide?
The InChIKey is KOMDSBAKSTWXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-13(17)10-21-8-6-14(20)19-9-12-4-1-3-11-5-2-7-18-15(11)12/h1,3-4,13,18H,2,5-10H2,(H,19,20).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide?
3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide has a molecular weight of 298.33 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide is sourced from PubChem (CID 103206937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).