1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea

C23H26F3N3O3 — CID 10049371

IUPAC1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)c(N2CCOCC2)c1)Nc1cccc2c1C[C@H](O)CC2
InChIInChI=1S/C23H26F3N3O3/c24-23(25,26)19-7-4-15(12-21(19)29-8-10-32-11-9-29)14-27-22(31)28-20-3-1-2-16-5-6-17(30)13-18(16)20/h1-4,7,12,17,30H,5-6,8-11,13-14H2,(H2,27,28,31)/t17-/m1/s1
InChIKeyDGESMSFNPOXITK-QGZVFWFLSA-N
MW449.47 g/mol
LogP3.71
Rot. Bonds4

About 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea

1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 10049371) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID10049371
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC Name1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)c(N2CCOCC2)c1)Nc1cccc2c1C[C@H](O)CC2
InChIInChI=1S/C23H26F3N3O3/c24-23(25,26)19-7-4-15(12-21(19)29-8-10-32-11-9-29)14-27-22(31)28-20-3-1-2-16-5-6-17(30)13-18(16)20/h1-4,7,12,17,30H,5-6,8-11,13-14H2,(H2,27,28,31)/t17-/m1/s1
InChIKeyDGESMSFNPOXITK-QGZVFWFLSA-N
XLogP3.71
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[4-Benzyl-4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 155513383
1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[(1R,3S)-3-phenylcyclopentyl]urea
CID 68313396
1-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 68313418
1-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[(1R,3S)-3-phenylcyclopentyl]urea
CID 68313501
1-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[(1R,3R)-3-phenylcyclopentyl]urea
CID 68313615
1-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 68313735
1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[(1R,3R)-3-phenylcyclopentyl]urea
CID 68313758
1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 68313764
2,2,2-Trifluoro-N-[7-hydroxy-6-(4-phenyl-piperidin-1-yl)-5,6,7,8-tetrahydro-naphthalen-1-yl]-acetamide
CID 15925921
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N'-[3-piperidin-1-yl-4-(tri-fluoromethyl)benzyl]urea
CID 9846448
1-[[4-(2-Fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 9977706
1-[(2,6-Difluorophenyl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 9996844

Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea (CID 10049371) is 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)c(N2CCOCC2)c1)Nc1cccc2c1C[C@H](O)CC2.
What is the InChIKey of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is DGESMSFNPOXITK-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26F3N3O3/c24-23(25,26)19-7-4-15(12-21(19)29-8-10-32-11-9-29)14-27-22(31)28-20-3-1-2-16-5-6-17(30)13-18(16)20/h1-4,7,12,17,30H,5-6,8-11,13-14H2,(H2,27,28,31)/t17-/m1/s1.
What are the key properties of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea?
1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 449.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 10049371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).