1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide

C23H24N2O3 — CID 90330508

IUPAC1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide
SMILESCCN1CC(C(=O)N[C@@H]2CCC(c3ccccc3)c3ccccc32)=C(O)C1=O
InChIInChI=1S/C23H24N2O3/c1-2-25-14-19(21(26)23(25)28)22(27)24-20-13-12-16(15-8-4-3-5-9-15)17-10-6-7-11-18(17)20/h3-11,16,20,26H,2,12-14H2,1H3,(H,24,27)/t16?,20-/m1/s1
InChIKeyCYZIZTQBLIJVAS-OTOKDRCRSA-N
MW376.46 g/mol
LogP3.44
Rot. Bonds4

About 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide

1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide (PubChem CID 90330508) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide
PubChem CID90330508
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide
SMILESCCN1CC(C(=O)N[C@@H]2CCC(c3ccccc3)c3ccccc32)=C(O)C1=O
InChIInChI=1S/C23H24N2O3/c1-2-25-14-19(21(26)23(25)28)22(27)24-20-13-12-16(15-8-4-3-5-9-15)17-10-6-7-11-18(17)20/h3-11,16,20,26H,2,12-14H2,1H3,(H,24,27)/t16?,20-/m1/s1
InChIKeyCYZIZTQBLIJVAS-OTOKDRCRSA-N
XLogP3.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide (CID 90330508) is 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide is CCN1CC(C(=O)N[C@@H]2CCC(c3ccccc3)c3ccccc32)=C(O)C1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide?
The InChIKey is CYZIZTQBLIJVAS-OTOKDRCRSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-2-25-14-19(21(26)23(25)28)22(27)24-20-13-12-16(15-8-4-3-5-9-15)17-10-6-7-11-18(17)20/h3-11,16,20,26H,2,12-14H2,1H3,(H,24,27)/t16?,20-/m1/s1.
What are the key properties of 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide?
1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).