1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide

C16H18N2O3 — CID 123543353

IUPAC1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide
SMILESCNC(=O)C1CCc2c(c(O)n(-c3ccccc3)c2O)C1
InChIInChI=1S/C16H18N2O3/c1-17-14(19)10-7-8-12-13(9-10)16(21)18(15(12)20)11-5-3-2-4-6-11/h2-6,10,20-21H,7-9H2,1H3,(H,17,19)
InChIKeyRUFYNWIMOFUACX-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.74
Rot. Bonds2

About 1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide

1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide (PubChem CID 123543353) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide
PubChem CID123543353
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide
SMILESCNC(=O)C1CCc2c(c(O)n(-c3ccccc3)c2O)C1
InChIInChI=1S/C16H18N2O3/c1-17-14(19)10-7-8-12-13(9-10)16(21)18(15(12)20)11-5-3-2-4-6-11/h2-6,10,20-21H,7-9H2,1H3,(H,17,19)
InChIKeyRUFYNWIMOFUACX-UHFFFAOYSA-N
XLogP1.74
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide?
The IUPAC name of 1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide (CID 123543353) is 1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide.
What is the SMILES notation for 1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide?
The canonical SMILES for 1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide is CNC(=O)C1CCc2c(c(O)n(-c3ccccc3)c2O)C1.
What is the InChIKey of 1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide?
The InChIKey is RUFYNWIMOFUACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17-14(19)10-7-8-12-13(9-10)16(21)18(15(12)20)11-5-3-2-4-6-11/h2-6,10,20-21H,7-9H2,1H3,(H,17,19).
What are the key properties of 1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide?
1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide is sourced from PubChem (CID 123543353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).