N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H25N3O3 — CID 22051576

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(N2CC(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2=O)c1
InChIInChI=1S/C23H25N3O3/c1-14-3-4-15(2)20(11-14)26-13-17(12-21(26)27)23(29)25-19-9-7-18(8-10-19)24-22(28)16-5-6-16/h3-4,7-11,16-17H,5-6,12-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyKNKYUEBCJPEGRI-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.64
Rot. Bonds5

About N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 22051576) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID22051576
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(N2CC(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2=O)c1
InChIInChI=1S/C23H25N3O3/c1-14-3-4-15(2)20(11-14)26-13-17(12-21(26)27)23(29)25-19-9-7-18(8-10-19)24-22(28)16-5-6-16/h3-4,7-11,16-17H,5-6,12-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyKNKYUEBCJPEGRI-UHFFFAOYSA-N
XLogP3.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,5-dimethylphenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102102
1-(2,5-dimethylphenyl)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 10216260
1-(2,5-dimethylphenyl)-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 10126481
1-(2,5-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17151831
(3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004912
1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 54792505
(3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7220375
1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160102
(3S)-1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220441
N-(2-bromophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151862
1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160137
N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187647

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 22051576) is N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(C)c(N2CC(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2=O)c1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KNKYUEBCJPEGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14-3-4-15(2)20(11-14)26-13-17(12-21(26)27)23(29)25-19-9-7-18(8-10-19)24-22(28)16-5-6-16/h3-4,7-11,16-17H,5-6,12-13H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 22051576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).