N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide

C22H28N2O2 — CID 155509045

IUPACN-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@]23CC[C@H]1O3)C1CC1
InChIInChI=1S/C22H28N2O2/c25-21(17-8-9-17)23-13-18-19-14-24(15-22(19)11-10-20(18)26-22)12-4-7-16-5-2-1-3-6-16/h1-7,17-20H,8-15H2,(H,23,25)/b7-4+/t18-,19+,20+,22+/m0/s1
InChIKeyFKXNYHORFSNMJD-HDJIUUIOSA-N
MW352.48 g/mol
LogP2.71
Rot. Bonds6

About N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide

N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide (PubChem CID 155509045) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide
PubChem CID155509045
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@]23CC[C@H]1O3)C1CC1
InChIInChI=1S/C22H28N2O2/c25-21(17-8-9-17)23-13-18-19-14-24(15-22(19)11-10-20(18)26-22)12-4-7-16-5-2-1-3-6-16/h1-7,17-20H,8-15H2,(H,23,25)/b7-4+/t18-,19+,20+,22+/m0/s1
InChIKeyFKXNYHORFSNMJD-HDJIUUIOSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide (CID 155509045) is N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide is O=C(NC[C@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@]23CC[C@H]1O3)C1CC1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide?
The InChIKey is FKXNYHORFSNMJD-HDJIUUIOSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-21(17-8-9-17)23-13-18-19-14-24(15-22(19)11-10-20(18)26-22)12-4-7-16-5-2-1-3-6-16/h1-7,17-20H,8-15H2,(H,23,25)/b7-4+/t18-,19+,20+,22+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide?
N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.71, 6 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-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 155509045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).