N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene

C25H34F3N3O2 — CID 145176434

IUPACN-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene
SMILESCC/C=C\c1ccccc1.NC(=O)CN1CCC2(CC1)CC(N(C(=O)C(F)(F)F)C1CC1)C2
InChIInChI=1S/C15H22F3N3O2.C10H12/c16-15(17,18)13(23)21(10-1-2-10)11-7-14(8-11)3-5-20(6-4-14)9-12(19)22;1-2-3-7-10-8-5-4-6-9-10/h10-11H,1-9H2,(H2,19,22);3-9H,2H2,1H3/b;7-3-
InChIKeyXCEQFNKDFHGGEP-KEAXFFGOSA-N
MW465.56 g/mol
LogP4.38
Rot. Bonds6

About N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene

N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene (PubChem CID 145176434) has the molecular formula C25H34F3N3O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene.

Molecular Properties

Compound NameN-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene
PubChem CID145176434
Molecular FormulaC25H34F3N3O2
Molecular Weight465.56 g/mol
Exact Mass465.26
IUPAC NameN-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene
SMILESCC/C=C\c1ccccc1.NC(=O)CN1CCC2(CC1)CC(N(C(=O)C(F)(F)F)C1CC1)C2
InChIInChI=1S/C15H22F3N3O2.C10H12/c16-15(17,18)13(23)21(10-1-2-10)11-7-14(8-11)3-5-20(6-4-14)9-12(19)22;1-2-3-7-10-8-5-4-6-9-10/h10-11H,1-9H2,(H2,19,22);3-9H,2H2,1H3/b;7-3-
InChIKeyXCEQFNKDFHGGEP-KEAXFFGOSA-N
XLogP4.38
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene?
The IUPAC name of N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene (CID 145176434) is N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene.
What is the SMILES notation for N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene?
The canonical SMILES for N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene is CC/C=C\c1ccccc1.NC(=O)CN1CCC2(CC1)CC(N(C(=O)C(F)(F)F)C1CC1)C2.
What is the InChIKey of N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene?
The InChIKey is XCEQFNKDFHGGEP-KEAXFFGOSA-N. The full InChI is InChI=1S/C15H22F3N3O2.C10H12/c16-15(17,18)13(23)21(10-1-2-10)11-7-14(8-11)3-5-20(6-4-14)9-12(19)22;1-2-3-7-10-8-5-4-6-9-10/h10-11H,1-9H2,(H2,19,22);3-9H,2H2,1H3/b;7-3-.
What are the key properties of N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene?
N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene has a molecular weight of 465.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-amino-2-oxoethyl)-7-azaspiro[3.5]nonan-2-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene is sourced from PubChem (CID 145176434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).