N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C24H31N3O2 — CID 113186644

IUPACN-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3C(C)C)C2)cc1
InChIInChI=1S/C24H31N3O2/c1-5-26(6-2)20-13-11-19(12-14-20)25-24(29)18-15-23(28)27(16-18)22-10-8-7-9-21(22)17(3)4/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,25,29)
InChIKeyANIXMXRUEAJPNI-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.65
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113186644) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113186644
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3C(C)C)C2)cc1
InChIInChI=1S/C24H31N3O2/c1-5-26(6-2)20-13-11-19(12-14-20)25-24(29)18-15-23(28)27(16-18)22-10-8-7-9-21(22)17(3)4/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,25,29)
InChIKeyANIXMXRUEAJPNI-UHFFFAOYSA-N
XLogP4.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 10194740
N-[4-[N-[(cyclopropylamino)methyl]anilino]phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 150539654
5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186635
N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 42956709
N-[4-(diethylamino)phenyl]-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186270
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7947509
1-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108787236
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922406
N-(4-chlorophenyl)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191590
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189799
(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2458183

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 113186644) is N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CCN(CC)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3C(C)C)C2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ANIXMXRUEAJPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-26(6-2)20-13-11-19(12-14-20)25-24(29)18-15-23(28)27(16-18)22-10-8-7-9-21(22)17(3)4/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,25,29).
What are the key properties of N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113186644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).