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

C18H22F4N4O4 — CID 75305958

IUPAC2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C18H22F4N4O4/c19-17(20)18(21,22)30-12-3-1-2-11(8-12)23-15(27)9-13-24-14(10-16(28)25-13)26-4-6-29-7-5-26/h1-3,8,13-14,17,24H,4-7,9-10H2,(H,23,27)(H,25,28)
InChIKeyBHKJKFGGDBCVTN-UHFFFAOYSA-N
MW434.39 g/mol
LogP1.35
Rot. Bonds7

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

2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide (PubChem CID 75305958) has the molecular formula C18H22F4N4O4 and a molecular weight of 434.39 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
PubChem CID75305958
Molecular FormulaC18H22F4N4O4
Molecular Weight434.39 g/mol
Exact Mass434.16
IUPAC Name2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C18H22F4N4O4/c19-17(20)18(21,22)30-12-3-1-2-11(8-12)23-15(27)9-13-24-14(10-16(28)25-13)26-4-6-29-7-5-26/h1-3,8,13-14,17,24H,4-7,9-10H2,(H,23,27)(H,25,28)
InChIKeyBHKJKFGGDBCVTN-UHFFFAOYSA-N
XLogP1.35
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25015710
3-[3-[4-[2-(2,2,2-Trifluoroethoxy)-4-fluorophenyl]piperazino]propyl]hexahydropyrimidine-2,4-dione
CID 15840661
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015206
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015279
1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea
CID 118409147
5-fluoro-3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 44298650
3-[(Morpholin-4-ylcarbonyl)amino]phenyl piperidine-1-carboxylate
CID 831789
N-(3-Methoxy-phenyl)-3-morpholin-4-yl-propionamide
CID 24747003
1-(3,4-Difluorophenyl)-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014525
1-(2,4-Difluorophenyl)-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014528
1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25014777
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-phenylurea
CID 25014778

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide (CID 75305958) is 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide is O=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The InChIKey is BHKJKFGGDBCVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N4O4/c19-17(20)18(21,22)30-12-3-1-2-11(8-12)23-15(27)9-13-24-14(10-16(28)25-13)26-4-6-29-7-5-26/h1-3,8,13-14,17,24H,4-7,9-10H2,(H,23,27)(H,25,28).
What are the key properties of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide has a molecular weight of 434.39 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 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-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 75305958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).