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

C22H23N3O4 — CID 90330626

IUPACN-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(=O)NCc1ccc(-c2cccc(CNC(=O)C3=C(O)C(=O)N(C)C3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-14(26)23-11-15-6-8-17(9-7-15)18-5-3-4-16(10-18)12-24-21(28)19-13-25(2)22(29)20(19)27/h3-10,27H,11-13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyXQNOQQSTRWQFMS-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.89
Rot. Bonds6

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

N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90330626) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90330626
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(=O)NCc1ccc(-c2cccc(CNC(=O)C3=C(O)C(=O)N(C)C3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-14(26)23-11-15-6-8-17(9-7-15)18-5-3-4-16(10-18)12-24-21(28)19-13-25(2)22(29)20(19)27/h3-10,27H,11-13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyXQNOQQSTRWQFMS-UHFFFAOYSA-N
XLogP1.89
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(biphenyl-4-ylmethyl)-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide
CID 54687474
1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
CID 90330569
1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 54733174
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(m-tolylmethyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 54733175
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
CID 54733177
4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide
CID 89489375
4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
CID 90302077
N-[[3-(3-acetylphenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330454
N-[(1R)-1-[3-[4-(acetamidomethyl)phenyl]phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330467
4-hydroxy-1-methyl-5-oxo-N-[(2-phenylphenyl)methyl]-2H-pyrrole-3-carboxamide
CID 90330471
4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330489
1-ethyl-4-hydroxy-5-oxo-N-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-pyrrole-3-carboxamide
CID 90330508

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 90330626) is N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CC(=O)NCc1ccc(-c2cccc(CNC(=O)C3=C(O)C(=O)N(C)C3)c2)cc1.
What is the InChIKey of N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is XQNOQQSTRWQFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14(26)23-11-15-6-8-17(9-7-15)18-5-3-4-16(10-18)12-24-21(28)19-13-25(2)22(29)20(19)27/h3-10,27H,11-13H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).