(1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

C17H19NO3 — CID 6624738

IUPAC(1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESCc1ccc(N(C)C(=O)[C@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)O[C@@H]4C3)cc1
InChIInChI=1S/C17H19NO3/c1-9-3-5-11(6-4-9)18(2)16(19)14-10-7-12-13(8-10)21-17(20)15(12)14/h3-6,10,12-15H,7-8H2,1-2H3/t10-,12+,13-,14+,15-/m1/s1
InChIKeyDJQIGDFSBMOCFY-MYBUGEPTSA-N
MW285.34 g/mol
LogP2.16
Rot. Bonds2

About (1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

(1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (PubChem CID 6624738) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.

Molecular Properties

Compound Name(1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
PubChem CID6624738
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESCc1ccc(N(C)C(=O)[C@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)O[C@@H]4C3)cc1
InChIInChI=1S/C17H19NO3/c1-9-3-5-11(6-4-9)18(2)16(19)14-10-7-12-13(8-10)21-17(20)15(12)14/h3-6,10,12-15H,7-8H2,1-2H3/t10-,12+,13-,14+,15-/m1/s1
InChIKeyDJQIGDFSBMOCFY-MYBUGEPTSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The IUPAC name of (1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (CID 6624738) is (1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.
What is the SMILES notation for (1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The canonical SMILES for (1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is Cc1ccc(N(C)C(=O)[C@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)O[C@@H]4C3)cc1.
What is the InChIKey of (1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The InChIKey is DJQIGDFSBMOCFY-MYBUGEPTSA-N. The full InChI is InChI=1S/C17H19NO3/c1-9-3-5-11(6-4-9)18(2)16(19)14-10-7-12-13(8-10)21-17(20)15(12)14/h3-6,10,12-15H,7-8H2,1-2H3/t10-,12+,13-,14+,15-/m1/s1.
What are the key properties of (1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
(1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6R,7R,9S)-N-methyl-N-(4-methylphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is sourced from PubChem (CID 6624738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).