N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C19H25F3N2O4 — CID 55603217

IUPACN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C19H25F3N2O4/c20-19(21,22)15-2-1-3-16(10-15)28-13-18(25)23-11-17(14-4-7-27-12-14)24-5-8-26-9-6-24/h1-3,10,14,17H,4-9,11-13H2,(H,23,25)
InChIKeyYZVYMDCAQYRRLG-UHFFFAOYSA-N
MW402.41 g/mol
LogP1.94
Rot. Bonds7

About N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 55603217) has the molecular formula C19H25F3N2O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID55603217
Molecular FormulaC19H25F3N2O4
Molecular Weight402.41 g/mol
Exact Mass402.18
IUPAC NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C19H25F3N2O4/c20-19(21,22)15-2-1-3-16(10-15)28-13-18(25)23-11-17(14-4-7-27-12-14)24-5-8-26-9-6-24/h1-3,10,14,17H,4-9,11-13H2,(H,23,25)
InChIKeyYZVYMDCAQYRRLG-UHFFFAOYSA-N
XLogP1.94
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide
CID 55602811
3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
CID 55712477
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
2-methoxy-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 94024269
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757909
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55603157
3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642118
N-(2-bicyclo[2.2.1]heptanyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190091
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 125058906
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
CID 109475253

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 55603217) is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is YZVYMDCAQYRRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O4/c20-19(21,22)15-2-1-3-16(10-15)28-13-18(25)23-11-17(14-4-7-27-12-14)24-5-8-26-9-6-24/h1-3,10,14,17H,4-9,11-13H2,(H,23,25).
What are the key properties of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 402.41 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 55603217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).