1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide

C26H27N3O3 — CID 60589148

IUPAC1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(NC(C)c4ccccc4)cc3)CC2=O)cc1
InChIInChI=1S/C26H27N3O3/c1-18(19-6-4-3-5-7-19)27-21-8-10-22(11-9-21)28-26(31)20-16-25(30)29(17-20)23-12-14-24(32-2)15-13-23/h3-15,18,20,27H,16-17H2,1-2H3,(H,28,31)
InChIKeyJKGUZVHKJLWWAO-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.86
Rot. Bonds7

About 1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide (PubChem CID 60589148) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide
PubChem CID60589148
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(NC(C)c4ccccc4)cc3)CC2=O)cc1
InChIInChI=1S/C26H27N3O3/c1-18(19-6-4-3-5-7-19)27-21-8-10-22(11-9-21)28-26(31)20-16-25(30)29(17-20)23-12-14-24(32-2)15-13-23/h3-15,18,20,27H,16-17H2,1-2H3,(H,28,31)
InChIKeyJKGUZVHKJLWWAO-UHFFFAOYSA-N
XLogP4.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
(3S)-N-(4-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1088212
N-(4-methoxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791034
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785661
(3R)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7316360

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide (CID 60589148) is 1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc(NC(C)c4ccccc4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is JKGUZVHKJLWWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18(19-6-4-3-5-7-19)27-21-8-10-22(11-9-21)28-26(31)20-16-25(30)29(17-20)23-12-14-24(32-2)15-13-23/h3-15,18,20,27H,16-17H2,1-2H3,(H,28,31).
What are the key properties of 1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 60589148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).