2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C18H21F3N2O3 — CID 163453432

IUPAC2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESCON1CC2(CC(N(C(=O)C(F)(F)F)[C@@H]3C[C@H]3c3ccccc3)CO2)C1
InChIInChI=1S/C18H21F3N2O3/c1-25-22-10-17(11-22)8-13(9-26-17)23(16(24)18(19,20)21)15-7-14(15)12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3/t13?,14-,15+/m0/s1
InChIKeyBIKXEWMYLZCCDR-NOYMGPGASA-N
MW370.37 g/mol
LogP2.34
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 163453432) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID163453432
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESCON1CC2(CC(N(C(=O)C(F)(F)F)[C@@H]3C[C@H]3c3ccccc3)CO2)C1
InChIInChI=1S/C18H21F3N2O3/c1-25-22-10-17(11-22)8-13(9-26-17)23(16(24)18(19,20)21)15-7-14(15)12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3/t13?,14-,15+/m0/s1
InChIKeyBIKXEWMYLZCCDR-NOYMGPGASA-N
XLogP2.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 164737051
N-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R)-2-phenylcyclopropyl]acetamide
CID 118297870
methyl 1-[[[(1S,2R)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-4-carboxylate
CID 140830913
N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
CID 166654979
2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
CID 118297906
2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290237
2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide
CID 88962081
tert-butyl 3-[3-[[(1R,2R)-2-ethylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azetidine-1-carboxylate
CID 167018497
N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide
CID 154193937
tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
CID 166765265
2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide
CID 70559701
methyl 1-[[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate
CID 118290821

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 163453432) is 2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is CON1CC2(CC(N(C(=O)C(F)(F)F)[C@@H]3C[C@H]3c3ccccc3)CO2)C1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is BIKXEWMYLZCCDR-NOYMGPGASA-N. The full InChI is InChI=1S/C18H21F3N2O3/c1-25-22-10-17(11-22)8-13(9-26-17)23(16(24)18(19,20)21)15-7-14(15)12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3/t13?,14-,15+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 370.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methoxy-5-oxa-2-azaspiro[3.4]octan-7-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 163453432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).