1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide

C23H25N3O3 — CID 43013798

IUPAC1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccc(N4CCCC4=O)cc3)CC2=O)cc1
InChIInChI=1S/C23H25N3O3/c1-16-4-8-20(9-5-16)26-15-18(13-22(26)28)23(29)24-14-17-6-10-19(11-7-17)25-12-2-3-21(25)27/h4-11,18H,2-3,12-15H2,1H3,(H,24,29)
InChIKeyILRUVDGLGOATHP-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.79
Rot. Bonds5

About 1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide

1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 43013798) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID43013798
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccc(N4CCCC4=O)cc3)CC2=O)cc1
InChIInChI=1S/C23H25N3O3/c1-16-4-8-20(9-5-16)26-15-18(13-22(26)28)23(29)24-14-17-6-10-19(11-7-17)25-12-2-3-21(25)27/h4-11,18H,2-3,12-15H2,1H3,(H,24,29)
InChIKeyILRUVDGLGOATHP-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108745437
1-(4-methylphenyl)-2-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 60566003
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
(3S)-1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 33278455
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55737035
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
4-[[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119136577
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
N-[(4-chlorophenyl)methyl]-1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 41168142
1-[(4-fluorophenyl)methyl]-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea
CID 8942444
N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 53155746
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 43013798) is 1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCc3ccc(N4CCCC4=O)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is ILRUVDGLGOATHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-4-8-20(9-5-16)26-15-18(13-22(26)28)23(29)24-14-17-6-10-19(11-7-17)25-12-2-3-21(25)27/h4-11,18H,2-3,12-15H2,1H3,(H,24,29).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 43013798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).