N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H25N3O2 — CID 43063969

IUPACN-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccccc3N(C)C)CC2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-4-15-9-11-17(12-10-15)24-14-16(13-20(24)25)21(26)22-18-7-5-6-8-19(18)23(2)3/h5-12,16H,4,13-14H2,1-3H3,(H,22,26)
InChIKeyZCWCGBNOZKARMZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43063969) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43063969
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccccc3N(C)C)CC2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-4-15-9-11-17(12-10-15)24-14-16(13-20(24)25)21(26)22-18-7-5-6-8-19(18)23(2)3/h5-12,16H,4,13-14H2,1-3H3,(H,22,26)
InChIKeyZCWCGBNOZKARMZ-UHFFFAOYSA-N
XLogP3.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102168
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
1-[4-(dimethylamino)phenyl]-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189650
(3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26905657
N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082103
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390159
1-(4-ethylphenyl)-5-oxo-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 112827657
N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082104
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390142
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 992778
(3S)-1-(4-ethylphenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40715031
(3R)-1-(4-ethylphenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40715027

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 43063969) is N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccccc3N(C)C)CC2=O)cc1.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZCWCGBNOZKARMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-15-9-11-17(12-10-15)24-14-16(13-20(24)25)21(26)22-18-7-5-6-8-19(18)23(2)3/h5-12,16H,4,13-14H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43063969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).