N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H24N4O4 — CID 55737035

IUPACN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)CC2=O)cc1
InChIInChI=1S/C22H24N4O4/c1-14-2-8-18(9-3-14)26-13-17(10-20(26)28)22(30)24-11-15-4-6-16(7-5-15)21(29)25-12-19(23)27/h2-9,17H,10-13H2,1H3,(H2,23,27)(H,24,30)(H,25,29)
InChIKeyAGVCFVQAXCRUMK-UHFFFAOYSA-N
MW408.46 g/mol
LogP0.88
Rot. Bonds7

About N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55737035) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55737035
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)CC2=O)cc1
InChIInChI=1S/C22H24N4O4/c1-14-2-8-18(9-3-14)26-13-17(10-20(26)28)22(30)24-11-15-4-6-16(7-5-15)21(29)25-12-19(23)27/h2-9,17H,10-13H2,1H3,(H2,23,27)(H,24,30)(H,25,29)
InChIKeyAGVCFVQAXCRUMK-UHFFFAOYSA-N
XLogP0.88
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 43013798
N-[(4-carbamoylphenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46560661
(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
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
3-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108745437
4-[[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119136577
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
N-[(4-chlorophenyl)methyl]-1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 41168142
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
1-(2,6-diethylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113186866

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55737035) is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)CC2=O)cc1.
What is the InChIKey of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AGVCFVQAXCRUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-2-8-18(9-3-14)26-13-17(10-20(26)28)22(30)24-11-15-4-6-16(7-5-15)21(29)25-12-19(23)27/h2-9,17H,10-13H2,1H3,(H2,23,27)(H,24,30)(H,25,29).
What are the key properties of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55737035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).