N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

C22H23N3O4 — CID 90330525

IUPACN-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(=O)Nc1ccc(-c2cccc([C@@H](C)NC(=O)C3=C(O)C(=O)N(C)C3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-13(23-21(28)19-12-25(3)22(29)20(19)27)16-5-4-6-17(11-16)15-7-9-18(10-8-15)24-14(2)26/h4-11,13,27H,12H2,1-3H3,(H,23,28)(H,24,26)/t13-/m1/s1
InChIKeyUEOVQADYXISSCS-CYBMUJFWSA-N
MW393.44 g/mol
LogP2.77
Rot. Bonds5

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

N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90330525) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90330525
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(=O)Nc1ccc(-c2cccc([C@@H](C)NC(=O)C3=C(O)C(=O)N(C)C3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-13(23-21(28)19-12-25(3)22(29)20(19)27)16-5-4-6-17(11-16)15-7-9-18(10-8-15)24-14(2)26/h4-11,13,27H,12H2,1-3H3,(H,23,28)(H,24,26)/t13-/m1/s1
InChIKeyUEOVQADYXISSCS-CYBMUJFWSA-N
XLogP2.77
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 90330525) is N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CC(=O)Nc1ccc(-c2cccc([C@@H](C)NC(=O)C3=C(O)C(=O)N(C)C3)c2)cc1.
What is the InChIKey of N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is UEOVQADYXISSCS-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13(23-21(28)19-12-25(3)22(29)20(19)27)16-5-4-6-17(11-16)15-7-9-18(10-8-15)24-14(2)26/h4-11,13,27H,12H2,1-3H3,(H,23,28)(H,24,26)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).