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

C16H20N4O5 — CID 121160046

IUPACN-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(N3C(=O)CNC3=O)C2)c(OC)c1
InChIInChI=1S/C16H20N4O5/c1-24-11-3-4-12(13(7-11)25-2)18-16(23)19-6-5-10(9-19)20-14(21)8-17-15(20)22/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyJIXYBUSCDUCBLT-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.86
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide (PubChem CID 121160046) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide
PubChem CID121160046
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(N3C(=O)CNC3=O)C2)c(OC)c1
InChIInChI=1S/C16H20N4O5/c1-24-11-3-4-12(13(7-11)25-2)18-16(23)19-6-5-10(9-19)20-14(21)8-17-15(20)22/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyJIXYBUSCDUCBLT-UHFFFAOYSA-N
XLogP0.86
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159752
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160255
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160487
3-[1-[3-(3-bromo-4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159819
3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159746
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 121153630
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 53098611
N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522522

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide (CID 121160046) is N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(N3C(=O)CNC3=O)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is JIXYBUSCDUCBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-24-11-3-4-12(13(7-11)25-2)18-16(23)19-6-5-10(9-19)20-14(21)8-17-15(20)22/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121160046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).