4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide

C18H18N2O3 — CID 54704610

IUPAC4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)N(C)Cc2cccc3ccccc23)=C(O)C1=O
InChIInChI=1S/C18H18N2O3/c1-19(17(22)15-11-20(2)18(23)16(15)21)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,21H,10-11H2,1-2H3
InChIKeyIRPLZNUKDQCDFM-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.08
Rot. Bonds3

About 4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide

4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 54704610) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID54704610
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)N(C)Cc2cccc3ccccc23)=C(O)C1=O
InChIInChI=1S/C18H18N2O3/c1-19(17(22)15-11-20(2)18(23)16(15)21)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,21H,10-11H2,1-2H3
InChIKeyIRPLZNUKDQCDFM-UHFFFAOYSA-N
XLogP2.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide (CID 54704610) is 4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide is CN1CC(C(=O)N(C)Cc2cccc3ccccc23)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is IRPLZNUKDQCDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19(17(22)15-11-20(2)18(23)16(15)21)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,21H,10-11H2,1-2H3.
What are the key properties of 4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide?
4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54704610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).