(3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C21H28N4O4 — CID 51591237

IUPAC(3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@H](C(=O)Nc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)CC1=O
InChIInChI=1S/C21H28N4O4/c1-13(2)10-24-12-15(9-17(24)26)18(27)22-16-7-5-14(6-8-16)11-25-19(28)21(3,4)23-20(25)29/h5-8,13,15H,9-12H2,1-4H3,(H,22,27)(H,23,29)/t15-/m1/s1
InChIKeyWFFPPMIGBKOFPU-OAHLLOKOSA-N
MW400.48 g/mol
LogP1.96
Rot. Bonds6

About (3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51591237) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is (3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51591237
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name(3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@H](C(=O)Nc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)CC1=O
InChIInChI=1S/C21H28N4O4/c1-13(2)10-24-12-15(9-17(24)26)18(27)22-16-7-5-14(6-8-16)11-25-19(28)21(3,4)23-20(25)29/h5-8,13,15H,9-12H2,1-4H3,(H,22,27)(H,23,29)/t15-/m1/s1
InChIKeyWFFPPMIGBKOFPU-OAHLLOKOSA-N
XLogP1.96
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate
CID 37028365
N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202
(1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98138035
N-[4-(tert-butylcarbamoyl)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46598239
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
(3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide
CID 136849640
N-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183590
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93017883
N-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2815650
(3R)-N-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373980

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 51591237) is (3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1C[C@H](C(=O)Nc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)CC1=O.
What is the InChIKey of (3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WFFPPMIGBKOFPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-13(2)10-24-12-15(9-17(24)26)18(27)22-16-7-5-14(6-8-16)11-25-19(28)21(3,4)23-20(25)29/h5-8,13,15H,9-12H2,1-4H3,(H,22,27)(H,23,29)/t15-/m1/s1.
What are the key properties of (3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51591237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).