N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide

C17H25F3N2O2 — CID 155502886

IUPACN-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3)C1CCC1
InChIInChI=1S/C17H25F3N2O2/c18-17(19,20)6-7-22-9-13-12(8-21-15(23)11-2-1-3-11)14-4-5-16(13,10-22)24-14/h11-14H,1-10H2,(H,21,23)/t12-,13+,14+,16+/m0/s1
InChIKeyDEDPDEOEXQAKEY-DSJMHWKBSA-N
MW346.39 g/mol
LogP2.33
Rot. Bonds5

About N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide

N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide (PubChem CID 155502886) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
PubChem CID155502886
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC NameN-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3)C1CCC1
InChIInChI=1S/C17H25F3N2O2/c18-17(19,20)6-7-22-9-13-12(8-21-15(23)11-2-1-3-11)14-4-5-16(13,10-22)24-14/h11-14H,1-10H2,(H,21,23)/t12-,13+,14+,16+/m0/s1
InChIKeyDEDPDEOEXQAKEY-DSJMHWKBSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide (CID 155502886) is N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide is O=C(NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3)C1CCC1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
The InChIKey is DEDPDEOEXQAKEY-DSJMHWKBSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c18-17(19,20)6-7-22-9-13-12(8-21-15(23)11-2-1-3-11)14-4-5-16(13,10-22)24-14/h11-14H,1-10H2,(H,21,23)/t12-,13+,14+,16+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 155502886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).