N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide

C23H30N2O2 — CID 124779600

IUPACN-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(C)n1[C@H](C)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-14-13-19(16(3)25(14)15(2)17-9-7-6-8-10-17)22(26)24-20-18-11-12-27-21(18)23(20,4)5/h6-10,13,15,18,20-21H,11-12H2,1-5H3,(H,24,26)/t15-,18+,20-,21-/m1/s1
InChIKeyXQUWXYIUHSUWCS-NSGGIEJNSA-N
MW366.51 g/mol
LogP4.26
Rot. Bonds4

About N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide

N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide (PubChem CID 124779600) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide
PubChem CID124779600
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(C)n1[C@H](C)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-14-13-19(16(3)25(14)15(2)17-9-7-6-8-10-17)22(26)24-20-18-11-12-27-21(18)23(20,4)5/h6-10,13,15,18,20-21H,11-12H2,1-5H3,(H,24,26)/t15-,18+,20-,21-/m1/s1
InChIKeyXQUWXYIUHSUWCS-NSGGIEJNSA-N
XLogP4.26
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide?
The IUPAC name of N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide (CID 124779600) is N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide?
The canonical SMILES for N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(C)n1[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide?
The InChIKey is XQUWXYIUHSUWCS-NSGGIEJNSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-14-13-19(16(3)25(14)15(2)17-9-7-6-8-10-17)22(26)24-20-18-11-12-27-21(18)23(20,4)5/h6-10,13,15,18,20-21H,11-12H2,1-5H3,(H,24,26)/t15-,18+,20-,21-/m1/s1.
What are the key properties of N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide?
N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 124779600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).