1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea

C20H28F3N3O — CID 36974082

IUPAC1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
SMILESC[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccccc2C1
InChIInChI=1S/C20H28F3N3O/c1-14(26-10-9-15-5-2-3-6-16(15)13-26)12-24-19(27)25-18-8-4-7-17(11-18)20(21,22)23/h2-3,5-6,14,17-18H,4,7-13H2,1H3,(H2,24,25,27)/t14-,17-,18+/m1/s1
InChIKeyGCPICPLBEMZIJD-OLMNPRSZSA-N
MW383.46 g/mol
LogP3.85
Rot. Bonds4

About 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea

1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 36974082) has the molecular formula C20H28F3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
PubChem CID36974082
Molecular FormulaC20H28F3N3O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC Name1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
SMILESC[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccccc2C1
InChIInChI=1S/C20H28F3N3O/c1-14(26-10-9-15-5-2-3-6-16(15)13-26)12-24-19(27)25-18-8-4-7-17(11-18)20(21,22)23/h2-3,5-6,14,17-18H,4,7-13H2,1H3,(H2,24,25,27)/t14-,17-,18+/m1/s1
InChIKeyGCPICPLBEMZIJD-OLMNPRSZSA-N
XLogP3.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea 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-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121019
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 110893358
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438280
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119868130
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892306
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
1-[(1S)-1-(2-fluorophenyl)ethyl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 51724727

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea (CID 36974082) is 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea is C[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccccc2C1.
What is the InChIKey of 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is GCPICPLBEMZIJD-OLMNPRSZSA-N. The full InChI is InChI=1S/C20H28F3N3O/c1-14(26-10-9-15-5-2-3-6-16(15)13-26)12-24-19(27)25-18-8-4-7-17(11-18)20(21,22)23/h2-3,5-6,14,17-18H,4,7-13H2,1H3,(H2,24,25,27)/t14-,17-,18+/m1/s1.
What are the key properties of 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 383.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 36974082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).