2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C16H21F3N2O3 — CID 51103760

IUPAC2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOCC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C16H21F3N2O3/c1-23-11-15(22)20-10-14(21-6-8-24-9-7-21)12-2-4-13(5-3-12)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,22)
InChIKeyDNOSYHWTZHFNBD-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.84
Rot. Bonds6

About 2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 51103760) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID51103760
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOCC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C16H21F3N2O3/c1-23-11-15(22)20-10-14(21-6-8-24-9-7-21)12-2-4-13(5-3-12)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,22)
InChIKeyDNOSYHWTZHFNBD-UHFFFAOYSA-N
XLogP1.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 51103760) is 2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is COCC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of 2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is DNOSYHWTZHFNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-23-11-15(22)20-10-14(21-6-8-24-9-7-21)12-2-4-13(5-3-12)16(17,18)19/h2-5,14H,6-11H2,1H3,(H,20,22).
What are the key properties of 2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 51103760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).