N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide

C28H27F3N2O5 — CID 56774818

IUPACN-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C28H27F3N2O5/c1-37-23-12-4-18(5-13-23)14-25(34)32-22-10-6-20(7-11-22)27(36)24-16-38-17-26(35)33(24)15-19-2-8-21(9-3-19)28(29,30)31/h2-13,24,27,36H,14-17H2,1H3,(H,32,34)/t24-,27-/m1/s1
InChIKeyUYCLPXVASAOEAF-SHQCIBLASA-N
MW528.53 g/mol
LogP4.36
Rot. Bonds8

About N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 56774818) has the molecular formula C28H27F3N2O5 and a molecular weight of 528.53 g/mol. Its IUPAC name is N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID56774818
Molecular FormulaC28H27F3N2O5
Molecular Weight528.53 g/mol
Exact Mass528.19
IUPAC NameN-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C28H27F3N2O5/c1-37-23-12-4-18(5-13-23)14-25(34)32-22-10-6-20(7-11-22)27(36)24-16-38-17-26(35)33(24)15-19-2-8-21(9-3-19)28(29,30)31/h2-13,24,27,36H,14-17H2,1H3,(H,32,34)/t24-,27-/m1/s1
InChIKeyUYCLPXVASAOEAF-SHQCIBLASA-N
XLogP4.36
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 56774818) is N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is UYCLPXVASAOEAF-SHQCIBLASA-N. The full InChI is InChI=1S/C28H27F3N2O5/c1-37-23-12-4-18(5-13-23)14-25(34)32-22-10-6-20(7-11-22)27(36)24-16-38-17-26(35)33(24)15-19-2-8-21(9-3-19)28(29,30)31/h2-13,24,27,36H,14-17H2,1H3,(H,32,34)/t24-,27-/m1/s1.
What are the key properties of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 528.53 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 56774818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).