(2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide

C24H25F6N3O3 — CID 73212519

IUPAC(2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
SMILESO=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H25F6N3O3/c25-23(26,27)18-12-16(13-19(15-18)24(28,29)30)14-20(34)32-21(17-4-2-1-3-5-17)22(35)31-6-7-33-8-10-36-11-9-33/h1-5,12-13,15,21H,6-11,14H2,(H,31,35)(H,32,34)/t21-/m0/s1
InChIKeyDOGOFOVKBRAJST-NRFANRHFSA-N
MW517.47 g/mol
LogP3.57
Rot. Bonds8

About (2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide

(2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide (PubChem CID 73212519) has the molecular formula C24H25F6N3O3 and a molecular weight of 517.47 g/mol. Its IUPAC name is (2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
PubChem CID73212519
Molecular FormulaC24H25F6N3O3
Molecular Weight517.47 g/mol
Exact Mass517.18
IUPAC Name(2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
SMILESO=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H25F6N3O3/c25-23(26,27)18-12-16(13-19(15-18)24(28,29)30)14-20(34)32-21(17-4-2-1-3-5-17)22(35)31-6-7-33-8-10-36-11-9-33/h1-5,12-13,15,21H,6-11,14H2,(H,31,35)(H,32,34)/t21-/m0/s1
InChIKeyDOGOFOVKBRAJST-NRFANRHFSA-N
XLogP3.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide (CID 73212519) is (2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide is O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The InChIKey is DOGOFOVKBRAJST-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25F6N3O3/c25-23(26,27)18-12-16(13-19(15-18)24(28,29)30)14-20(34)32-21(17-4-2-1-3-5-17)22(35)31-6-7-33-8-10-36-11-9-33/h1-5,12-13,15,21H,6-11,14H2,(H,31,35)(H,32,34)/t21-/m0/s1.
What are the key properties of (2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
(2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide has a molecular weight of 517.47 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide is sourced from PubChem (CID 73212519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).