4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide

C18H22N2O5 — CID 71548654

IUPAC4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(OC3CCOCC3)cc2)=C(O)C1=O
InChIInChI=1S/C18H22N2O5/c1-20-11-15(16(21)18(20)23)17(22)19-10-12-2-4-13(5-3-12)25-14-6-8-24-9-7-14/h2-5,14,21H,6-11H2,1H3,(H,19,22)
InChIKeyVAOODWVCVHEQPM-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.14
Rot. Bonds5

About 4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide

4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 71548654) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID71548654
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(OC3CCOCC3)cc2)=C(O)C1=O
InChIInChI=1S/C18H22N2O5/c1-20-11-15(16(21)18(20)23)17(22)19-10-12-2-4-13(5-3-12)25-14-6-8-24-9-7-14/h2-5,14,21H,6-11H2,1H3,(H,19,22)
InChIKeyVAOODWVCVHEQPM-UHFFFAOYSA-N
XLogP1.14
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide (CID 71548654) is 4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCc2ccc(OC3CCOCC3)cc2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is VAOODWVCVHEQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-20-11-15(16(21)18(20)23)17(22)19-10-12-2-4-13(5-3-12)25-14-6-8-24-9-7-14/h2-5,14,21H,6-11H2,1H3,(H,19,22).
What are the key properties of 4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide?
4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 71548654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).