N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

C23H27N3O3 — CID 113189799

IUPACN-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-4-25(5-2)20-10-12-21(13-11-20)26-15-18(14-22(26)28)23(29)24-19-8-6-17(7-9-19)16(3)27/h6-13,18H,4-5,14-15H2,1-3H3,(H,24,29)
InChIKeyAAAYIEBBBSDJEC-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.73
Rot. Bonds7

About N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113189799) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113189799
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-4-25(5-2)20-10-12-21(13-11-20)26-15-18(14-22(26)28)23(29)24-19-8-6-17(7-9-19)16(3)27/h6-13,18H,4-5,14-15H2,1-3H3,(H,24,29)
InChIKeyAAAYIEBBBSDJEC-UHFFFAOYSA-N
XLogP3.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108787236
(3S)-N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7375127
N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3114278
ethyl 4-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188983
methyl 4-[4-[(4-acetylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189487
N-(1,3-benzodioxol-5-yl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189802
(3S)-N-(4-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1088212
(3R)-N-(4-acetylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236687
1-(4-acetylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188969
N-[4-(diethylamino)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188154
(3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005184
N-[4-(diethylamino)phenyl]-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186270

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 113189799) is N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(N2CC(C(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AAAYIEBBBSDJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-25(5-2)20-10-12-21(13-11-20)26-15-18(14-22(26)28)23(29)24-19-8-6-17(7-9-19)16(3)27/h6-13,18H,4-5,14-15H2,1-3H3,(H,24,29).
What are the key properties of N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113189799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).