N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide

C19H29F3N2O2 — CID 155505745

IUPACN-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC[C@H]1[C@H]2CN(C3CCCCC3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H29F3N2O2/c20-19(21,22)9-7-17(25)23-10-14-15-11-24(13-4-2-1-3-5-13)12-18(15)8-6-16(14)26-18/h13-16H,1-12H2,(H,23,25)/t14-,15+,16+,18+/m0/s1
InChIKeyRWZBDIIHNXBWEJ-BVIKNXMNSA-N
MW374.45 g/mol
LogP3.26
Rot. Bonds5

About N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide

N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide (PubChem CID 155505745) has the molecular formula C19H29F3N2O2 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide
PubChem CID155505745
Molecular FormulaC19H29F3N2O2
Molecular Weight374.45 g/mol
Exact Mass374.22
IUPAC NameN-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC[C@H]1[C@H]2CN(C3CCCCC3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H29F3N2O2/c20-19(21,22)9-7-17(25)23-10-14-15-11-24(13-4-2-1-3-5-13)12-18(15)8-6-16(14)26-18/h13-16H,1-12H2,(H,23,25)/t14-,15+,16+,18+/m0/s1
InChIKeyRWZBDIIHNXBWEJ-BVIKNXMNSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide (CID 155505745) is N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NC[C@H]1[C@H]2CN(C3CCCCC3)C[C@]23CC[C@H]1O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide?
The InChIKey is RWZBDIIHNXBWEJ-BVIKNXMNSA-N. The full InChI is InChI=1S/C19H29F3N2O2/c20-19(21,22)9-7-17(25)23-10-14-15-11-24(13-4-2-1-3-5-13)12-18(15)8-6-16(14)26-18/h13-16H,1-12H2,(H,23,25)/t14-,15+,16+,18+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide?
N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide has a molecular weight of 374.45 g/mol, XLogP of 3.26, 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-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 155505745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).