(5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C17H21F3N2O2 — CID 124620773

IUPAC(5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C17H21F3N2O2/c1-12-8-14(17(18,19)20)3-2-13(12)9-21-15(23)22-6-4-16(10-22)5-7-24-11-16/h2-3,8H,4-7,9-11H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyFIJAJQFPJAGKAG-MRXNPFEDSA-N
MW342.36 g/mol
LogP3.34
Rot. Bonds2

About (5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 124620773) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID124620773
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name(5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C17H21F3N2O2/c1-12-8-14(17(18,19)20)3-2-13(12)9-21-15(23)22-6-4-16(10-22)5-7-24-11-16/h2-3,8H,4-7,9-11H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyFIJAJQFPJAGKAG-MRXNPFEDSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 124620773) is (5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[C@@]2(CCOC2)C1.
What is the InChIKey of (5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is FIJAJQFPJAGKAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-12-8-14(17(18,19)20)3-2-13(12)9-21-15(23)22-6-4-16(10-22)5-7-24-11-16/h2-3,8H,4-7,9-11H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of (5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 124620773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).