N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide

C16H21F3N2O2 — CID 66688258

IUPACN-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCCN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-12(22)20-14-5-4-13(15(11-14)16(17,18)19)3-2-6-21-7-9-23-10-8-21/h4-5,11H,2-3,6-10H2,1H3,(H,20,22)
InChIKeyUAQBHWUPELNWGV-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.93
Rot. Bonds5

About N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide

N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 66688258) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID66688258
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCCN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-12(22)20-14-5-4-13(15(11-14)16(17,18)19)3-2-6-21-7-9-23-10-8-21/h4-5,11H,2-3,6-10H2,1H3,(H,20,22)
InChIKeyUAQBHWUPELNWGV-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide (CID 66688258) is N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(CCCN2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UAQBHWUPELNWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-12(22)20-14-5-4-13(15(11-14)16(17,18)19)3-2-6-21-7-9-23-10-8-21/h4-5,11H,2-3,6-10H2,1H3,(H,20,22).
What are the key properties of N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 330.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 66688258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).