2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide

C23H23F3N2O3 — CID 56988838

IUPAC2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide
SMILESCOc1ccc(NC(=O)C(F)(F)F)cc1C1C=C[C@@]2(CCCN[C@H]2c2ccccc2)O1
InChIInChI=1S/C23H23F3N2O3/c1-30-18-9-8-16(28-21(29)23(24,25)26)14-17(18)19-10-12-22(31-19)11-5-13-27-20(22)15-6-3-2-4-7-15/h2-4,6-10,12,14,19-20,27H,5,11,13H2,1H3,(H,28,29)/t19?,20-,22+/m0/s1
InChIKeyUBGOSOYJOTZAHU-VDZZXDNDSA-N
MW432.44 g/mol
LogP4.69
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide

2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide (PubChem CID 56988838) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide
PubChem CID56988838
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide
SMILESCOc1ccc(NC(=O)C(F)(F)F)cc1C1C=C[C@@]2(CCCN[C@H]2c2ccccc2)O1
InChIInChI=1S/C23H23F3N2O3/c1-30-18-9-8-16(28-21(29)23(24,25)26)14-17(18)19-10-12-22(31-19)11-5-13-27-20(22)15-6-3-2-4-7-15/h2-4,6-10,12,14,19-20,27H,5,11,13H2,1H3,(H,28,29)/t19?,20-,22+/m0/s1
InChIKeyUBGOSOYJOTZAHU-VDZZXDNDSA-N
XLogP4.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 11168385
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CID 11168613
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CID 23648366
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CID 22879211
N-(5-Acetylamino-2-methoxy-benzyl)-2-morpholin-4-yl-acetamide
CID 831396
Acetamide, N-(4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55424
N-[3-Benzyl-4-(3-isopropylamino-propoxy)-phenyl]-propionamide
CID 10316137
N-[3-Allyl-4-(3-isopropylamino-propoxy)-phenyl]-acetamide
CID 10493732
N-(4-(3-morpholinopropoxy)phenyl)-2-(4-(trifluoromethyl)phenyl)acetamide
CID 25014699
(R)-6-(2-Methoxy-benzyloxymethyl)-1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-piperazin-2-one
CID 44402891
(R)-6-(4-Fluoro-benzyloxymethyl)-1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-piperazin-2-one
CID 44402899
(R)-6-(4-Fluoro-3-methyl-benzyloxymethyl)-1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-piperazin-2-one
CID 44402903

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide (CID 56988838) is 2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide is COc1ccc(NC(=O)C(F)(F)F)cc1C1C=C[C@@]2(CCCN[C@H]2c2ccccc2)O1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide?
The InChIKey is UBGOSOYJOTZAHU-VDZZXDNDSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-30-18-9-8-16(28-21(29)23(24,25)26)14-17(18)19-10-12-22(31-19)11-5-13-27-20(22)15-6-3-2-4-7-15/h2-4,6-10,12,14,19-20,27H,5,11,13H2,1H3,(H,28,29)/t19?,20-,22+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide has a molecular weight of 432.44 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-methoxy-3-[(5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-en-2-yl]phenyl]acetamide is sourced from PubChem (CID 56988838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).