N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

C23H28N2O3 — CID 155492252

IUPACN-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(-c4ccc(C)o4)cc3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C23H28N2O3/c1-15-3-8-21(27-15)18-6-4-17(5-7-18)12-25-13-20-19(11-24-16(2)26)22-9-10-23(20,14-25)28-22/h3-8,19-20,22H,9-14H2,1-2H3,(H,24,26)/t19-,20+,22+,23+/m0/s1
InChIKeyCTCJVRFOWWWUNS-KKSHJYNMSA-N
MW380.49 g/mol
LogP3.37
Rot. Bonds5

About N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (PubChem CID 155492252) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
PubChem CID155492252
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(-c4ccc(C)o4)cc3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C23H28N2O3/c1-15-3-8-21(27-15)18-6-4-17(5-7-18)12-25-13-20-19(11-24-16(2)26)22-9-10-23(20,14-25)28-22/h3-8,19-20,22H,9-14H2,1-2H3,(H,24,26)/t19-,20+,22+,23+/m0/s1
InChIKeyCTCJVRFOWWWUNS-KKSHJYNMSA-N
XLogP3.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-[(4-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide
CID 154817901
N-[[(1S,5S,6R,7R)-3-benzyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide;formic acid
CID 155939415
N-[[(1S,5S,6R,7R)-3-[(4-chlorophenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide
CID 155494110
N-[[(1S,5S,6R,7R)-3-[(3-fluoro-4-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 155492337
N-[[(1S,5S,6R,7R)-3-[(3,4-dimethylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide;formic acid
CID 155940572
2-[(1S,5S,6R,7R)-6-[[3-(4-methylphenyl)propanoylamino]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]acetic acid
CID 155497788
2-cyclopropyl-N-[[(1S,5S,6R,7R)-3-[(4-fluoro-3-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
CID 154817906
4-N-[[(1S,5S,6R,7R)-3-benzyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzene-1,4-dicarboxamide
CID 155499567
5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide
CID 155495134
[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 154819873
N-[[(1S,5S,6R,7R)-3-benzyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3,4-difluorobenzamide
CID 155508284
N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propane-1-sulfonamide
CID 155915788

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (CID 155492252) is N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is CC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(-c4ccc(C)o4)cc3)C[C@]23CC[C@H]1O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The InChIKey is CTCJVRFOWWWUNS-KKSHJYNMSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15-3-8-21(27-15)18-6-4-17(5-7-18)12-25-13-20-19(11-24-16(2)26)22-9-10-23(20,14-25)28-22/h3-8,19-20,22H,9-14H2,1-2H3,(H,24,26)/t19-,20+,22+,23+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is sourced from PubChem (CID 155492252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).