(2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide

C29H31F3N2O — CID 59553811

IUPAC(2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide
SMILESCNC(=O)[C@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C29H31F3N2O/c1-33-28(35)27(22-8-3-2-4-9-22)34-26(24-15-14-21-7-5-6-10-23(21)19-24)18-13-20-11-16-25(17-12-20)29(30,31)32/h2-4,8-9,11-12,14-17,19,26-27,34H,5-7,10,13,18H2,1H3,(H,33,35)/t26-,27-/m1/s1
InChIKeyIPPDOCXPHVTJDL-KAYWLYCHSA-N
MW480.57 g/mol
LogP6.34
Rot. Bonds8

About (2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide

(2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide (PubChem CID 59553811) has the molecular formula C29H31F3N2O and a molecular weight of 480.57 g/mol. Its IUPAC name is (2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide
PubChem CID59553811
Molecular FormulaC29H31F3N2O
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name(2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide
SMILESCNC(=O)[C@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C29H31F3N2O/c1-33-28(35)27(22-8-3-2-4-9-22)34-26(24-15-14-21-7-5-6-10-23(21)19-24)18-13-20-11-16-25(17-12-20)29(30,31)32/h2-4,8-9,11-12,14-17,19,26-27,34H,5-7,10,13,18H2,1H3,(H,33,35)/t26-,27-/m1/s1
InChIKeyIPPDOCXPHVTJDL-KAYWLYCHSA-N
XLogP6.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide?
The IUPAC name of (2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide (CID 59553811) is (2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide.
What is the SMILES notation for (2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide?
The canonical SMILES for (2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide is CNC(=O)[C@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2)c1ccccc1.
What is the InChIKey of (2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide?
The InChIKey is IPPDOCXPHVTJDL-KAYWLYCHSA-N. The full InChI is InChI=1S/C29H31F3N2O/c1-33-28(35)27(22-8-3-2-4-9-22)34-26(24-15-14-21-7-5-6-10-23(21)19-24)18-13-20-11-16-25(17-12-20)29(30,31)32/h2-4,8-9,11-12,14-17,19,26-27,34H,5-7,10,13,18H2,1H3,(H,33,35)/t26-,27-/m1/s1.
What are the key properties of (2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide?
(2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide has a molecular weight of 480.57 g/mol, XLogP of 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide is sourced from PubChem (CID 59553811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).