N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C25H30N4O3 — CID 60560469

IUPACN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3cccc(CN4CCCC4C(N)=O)c3)CC2=O)cc1
InChIInChI=1S/C25H30N4O3/c1-2-17-8-10-21(11-9-17)29-16-19(14-23(29)30)25(32)27-20-6-3-5-18(13-20)15-28-12-4-7-22(28)24(26)31/h3,5-6,8-11,13,19,22H,2,4,7,12,14-16H2,1H3,(H2,26,31)(H,27,32)
InChIKeyHEFDGMQWHCMZEW-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.69
Rot. Bonds7

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

N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 60560469) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID60560469
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3cccc(CN4CCCC4C(N)=O)c3)CC2=O)cc1
InChIInChI=1S/C25H30N4O3/c1-2-17-8-10-21(11-9-17)29-16-19(14-23(29)30)25(32)27-20-6-3-5-18(13-20)15-28-12-4-7-22(28)24(26)31/h3,5-6,8-11,13,19,22H,2,4,7,12,14-16H2,1H3,(H2,26,31)(H,27,32)
InChIKeyHEFDGMQWHCMZEW-UHFFFAOYSA-N
XLogP2.69
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 60560360
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
1-(4-ethylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155517
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
N-(3-bromophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4667771
1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46570341
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412974
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
N-(3,5-dichlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081984

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 60560469) is N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3cccc(CN4CCCC4C(N)=O)c3)CC2=O)cc1.
What is the InChIKey of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HEFDGMQWHCMZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-2-17-8-10-21(11-9-17)29-16-19(14-23(29)30)25(32)27-20-6-3-5-18(13-20)15-28-12-4-7-22(28)24(26)31/h3,5-6,8-11,13,19,22H,2,4,7,12,14-16H2,1H3,(H2,26,31)(H,27,32).
What are the key properties of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60560469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).