N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C17H20N4O7 — CID 55628616

IUPACN-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NN3CC(=O)NC3=O)CC2=O)cc(OC)c1OC
InChIInChI=1S/C17H20N4O7/c1-26-11-5-10(6-12(27-2)15(11)28-3)20-7-9(4-14(20)23)16(24)19-21-8-13(22)18-17(21)25/h5-6,9H,4,7-8H2,1-3H3,(H,19,24)(H,18,22,25)
InChIKeyVVDUITLVXUZLQT-UHFFFAOYSA-N
MW392.37 g/mol
LogP-0.35
Rot. Bonds6

About N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 55628616) has the molecular formula C17H20N4O7 and a molecular weight of 392.37 g/mol. Its IUPAC name is N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID55628616
Molecular FormulaC17H20N4O7
Molecular Weight392.37 g/mol
Exact Mass392.13
IUPAC NameN-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NN3CC(=O)NC3=O)CC2=O)cc(OC)c1OC
InChIInChI=1S/C17H20N4O7/c1-26-11-5-10(6-12(27-2)15(11)28-3)20-7-9(4-14(20)23)16(24)19-21-8-13(22)18-17(21)25/h5-6,9H,4,7-8H2,1-3H3,(H,19,24)(H,18,22,25)
InChIKeyVVDUITLVXUZLQT-UHFFFAOYSA-N
XLogP-0.35
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate
CID 55609562
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
(3R)-N-(4-methylsulfonylphenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 30840186
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120947786
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 119608369
N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120826862

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 55628616) is N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)NN3CC(=O)NC3=O)CC2=O)cc(OC)c1OC.
What is the InChIKey of N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is VVDUITLVXUZLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O7/c1-26-11-5-10(6-12(27-2)15(11)28-3)20-7-9(4-14(20)23)16(24)19-21-8-13(22)18-17(21)25/h5-6,9H,4,7-8H2,1-3H3,(H,19,24)(H,18,22,25).
What are the key properties of N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 392.37 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55628616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).