N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C19H24F3N3O4 — CID 70976108

IUPACN-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIInChI=1S/C19H24F3N3O4/c1-18(2,3)28-11-16(26)23-12-8-14-10-25(17(27)24(14)9-12)13-4-6-15(7-5-13)29-19(20,21)22/h4-7,12,14H,8-11H2,1-3H3,(H,23,26)/t12-,14+/m1/s1
InChIKeyGWIYJKVZURDDBQ-OCCSQVGLSA-N
MW415.41 g/mol
LogP2.90
Rot. Bonds5

About N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 70976108) has the molecular formula C19H24F3N3O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID70976108
Molecular FormulaC19H24F3N3O4
Molecular Weight415.41 g/mol
Exact Mass415.17
IUPAC NameN-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIInChI=1S/C19H24F3N3O4/c1-18(2,3)28-11-16(26)23-12-8-14-10-25(17(27)24(14)9-12)13-4-6-15(7-5-13)29-19(20,21)22/h4-7,12,14H,8-11H2,1-3H3,(H,23,26)/t12-,14+/m1/s1
InChIKeyGWIYJKVZURDDBQ-OCCSQVGLSA-N
XLogP2.90
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 70976108) is N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1.
What is the InChIKey of N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is GWIYJKVZURDDBQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H24F3N3O4/c1-18(2,3)28-11-16(26)23-12-8-14-10-25(17(27)24(14)9-12)13-4-6-15(7-5-13)29-19(20,21)22/h4-7,12,14H,8-11H2,1-3H3,(H,23,26)/t12-,14+/m1/s1.
What are the key properties of N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 415.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 70976108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).