2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C17H21F3N4O3 — CID 77162156

IUPAC2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)11-2-1-3-12(8-11)21-15(25)9-13-22-14(10-16(26)23-13)24-4-6-27-7-5-24/h1-3,8,13-14,22H,4-7,9-10H2,(H,21,25)(H,23,26)
InChIKeyVMQVDXNNIIGHEZ-UHFFFAOYSA-N
MW386.37 g/mol
LogP1.13
Rot. Bonds4

About 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 77162156) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID77162156
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC Name2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)11-2-1-3-12(8-11)21-15(25)9-13-22-14(10-16(26)23-13)24-4-6-27-7-5-24/h1-3,8,13-14,22H,4-7,9-10H2,(H,21,25)(H,23,26)
InChIKeyVMQVDXNNIIGHEZ-UHFFFAOYSA-N
XLogP1.13
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 77162156) is 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VMQVDXNNIIGHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c18-17(19,20)11-2-1-3-12(8-11)21-15(25)9-13-22-14(10-16(26)23-13)24-4-6-27-7-5-24/h1-3,8,13-14,22H,4-7,9-10H2,(H,21,25)(H,23,26).
What are the key properties of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 386.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 77162156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).