N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide

C22H25F3N2O3 — CID 156864687

IUPACN-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCN(C(=O)C1CC2(COC(=O)N2)C1)C1CC(c2cccc(C3(C(F)(F)F)CC3)c2)C1
InChIInChI=1S/C22H25F3N2O3/c1-27(18(28)15-10-20(11-15)12-30-19(29)26-20)17-8-14(9-17)13-3-2-4-16(7-13)21(5-6-21)22(23,24)25/h2-4,7,14-15,17H,5-6,8-12H2,1H3,(H,26,29)
InChIKeyLUGMZGGZUQVXMF-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.87
Rot. Bonds4

About N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide

N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (PubChem CID 156864687) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
PubChem CID156864687
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC NameN-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCN(C(=O)C1CC2(COC(=O)N2)C1)C1CC(c2cccc(C3(C(F)(F)F)CC3)c2)C1
InChIInChI=1S/C22H25F3N2O3/c1-27(18(28)15-10-20(11-15)12-30-19(29)26-20)17-8-14(9-17)13-3-2-4-16(7-13)21(5-6-21)22(23,24)25/h2-4,7,14-15,17H,5-6,8-12H2,1H3,(H,26,29)
InChIKeyLUGMZGGZUQVXMF-UHFFFAOYSA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (CID 156864687) is N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is CN(C(=O)C1CC2(COC(=O)N2)C1)C1CC(c2cccc(C3(C(F)(F)F)CC3)c2)C1.
What is the InChIKey of N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is LUGMZGGZUQVXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c1-27(18(28)15-10-20(11-15)12-30-19(29)26-20)17-8-14(9-17)13-3-2-4-16(7-13)21(5-6-21)22(23,24)25/h2-4,7,14-15,17H,5-6,8-12H2,1H3,(H,26,29).
What are the key properties of N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-[3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 156864687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).