[5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone

C22H26N2O3 — CID 56861335

IUPAC[5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
SMILESCOCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)o1
InChIInChI=1S/C22H26N2O3/c1-26-14-17-7-8-19(27-17)22(25)24-13-18(15-5-3-2-4-6-15)21-20(24)16-9-11-23(21)12-10-16/h2-8,16,18,20-21H,9-14H2,1H3/t18-,20+,21+/m0/s1
InChIKeyZGPWSHMTAGUVTF-CEWLAPEOSA-N
MW366.46 g/mol
LogP3.13
Rot. Bonds4

About [5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone

[5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone (PubChem CID 56861335) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
PubChem CID56861335
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
SMILESCOCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)o1
InChIInChI=1S/C22H26N2O3/c1-26-14-17-7-8-19(27-17)22(25)24-13-18(15-5-3-2-4-6-15)21-20(24)16-9-11-23(21)12-10-16/h2-8,16,18,20-21H,9-14H2,1H3/t18-,20+,21+/m0/s1
InChIKeyZGPWSHMTAGUVTF-CEWLAPEOSA-N
XLogP3.13
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 56896820
3-amino-1-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]propan-1-one
CID 56878306
3-hydroxy-1-[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]propan-1-one
CID 133132915
3-amino-1-[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]propan-1-one
CID 133127112
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyridin-4-ylmethanone
CID 133122918
[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 26333907
furan-2-yl-[(2R,3R,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 56885909
2-(3-hydroxyphenyl)-1-[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]ethanone
CID 133132487
(2-ethyl-5-methylpyrazol-3-yl)-[(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 56903831
[(2R,3R,6R)-3-(2,3-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(5-methoxyfuran-2-yl)methanone
CID 72863014
[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 133113157

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone?
The IUPAC name of [5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone (CID 56861335) is [5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone is COCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)o1.
What is the InChIKey of [5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone?
The InChIKey is ZGPWSHMTAGUVTF-CEWLAPEOSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-14-17-7-8-19(27-17)22(25)24-13-18(15-5-3-2-4-6-15)21-20(24)16-9-11-23(21)12-10-16/h2-8,16,18,20-21H,9-14H2,1H3/t18-,20+,21+/m0/s1.
What are the key properties of [5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone?
[5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone has a molecular weight of 366.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone is sourced from PubChem (CID 56861335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).