N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

C27H35F3N2O3 — CID 130272988

IUPACN-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOCCN1CCc2c(CCC(=O)N(Cc3ccccc3C(F)(F)F)CC(C)(C)O)cccc2C1
InChIInChI=1S/C27H35F3N2O3/c1-26(2,34)19-32(18-22-7-4-5-10-24(22)27(28,29)30)25(33)12-11-20-8-6-9-21-17-31(15-16-35-3)14-13-23(20)21/h4-10,34H,11-19H2,1-3H3
InChIKeySLLAMDCLKBLUEY-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.44
Rot. Bonds10

About N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 130272988) has the molecular formula C27H35F3N2O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID130272988
Molecular FormulaC27H35F3N2O3
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOCCN1CCc2c(CCC(=O)N(Cc3ccccc3C(F)(F)F)CC(C)(C)O)cccc2C1
InChIInChI=1S/C27H35F3N2O3/c1-26(2,34)19-32(18-22-7-4-5-10-24(22)27(28,29)30)25(33)12-11-20-8-6-9-21-17-31(15-16-35-3)14-13-23(20)21/h4-10,34H,11-19H2,1-3H3
InChIKeySLLAMDCLKBLUEY-UHFFFAOYSA-N
XLogP4.44
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]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-[2-(dimethylamino)ethyl]-3-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 121283305
(E)-5-(dimethylamino)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pent-2-enamide
CID 142796108
N-(1-methylpiperidin-4-yl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;dihydrochloride
CID 130272676
2-[[2-[[2-(2-methoxyacetyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]acetyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]ethyl N-methylcarbamate
CID 130272968
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 121283352
2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-(2-piperazin-1-ylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 121283411
tert-butyl 5-[[[2-(dimethylamino)ethyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121283441
2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-[methyl(prop-2-ynyl)amino]ethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 121283321
tert-butyl 2-[6-[2-[2-(dimethylamino)ethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]acetate
CID 140960191
tert-butyl 3-[[[2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]acetyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrrolidine-1-carboxylate
CID 121283260
2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 130273254
2-[[2-[[2-(ethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]acetyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]ethyl N-methylcarbamate
CID 144749975

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (CID 130272988) is N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is COCCN1CCc2c(CCC(=O)N(Cc3ccccc3C(F)(F)F)CC(C)(C)O)cccc2C1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is SLLAMDCLKBLUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N2O3/c1-26(2,34)19-32(18-22-7-4-5-10-24(22)27(28,29)30)25(33)12-11-20-8-6-9-21-17-31(15-16-35-3)14-13-23(20)21/h4-10,34H,11-19H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 492.58 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 130272988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).