2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C25H30N4O5 — CID 55445627

IUPAC2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(C2CCCN2CC(=O)NN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C25H30N4O5/c1-4-34-19-12-10-17(11-13-19)21-9-6-14-28(21)16-22(30)27-29-23(31)25(2,26-24(29)32)18-7-5-8-20(15-18)33-3/h5,7-8,10-13,15,21H,4,6,9,14,16H2,1-3H3,(H,26,32)(H,27,30)
InChIKeyWXEAERWPINILEH-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.73
Rot. Bonds8

About 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55445627) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55445627
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(C2CCCN2CC(=O)NN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C25H30N4O5/c1-4-34-19-12-10-17(11-13-19)21-9-6-14-28(21)16-22(30)27-29-23(31)25(2,26-24(29)32)18-7-5-8-20(15-18)33-3/h5,7-8,10-13,15,21H,4,6,9,14,16H2,1-3H3,(H,26,32)(H,27,30)
InChIKeyWXEAERWPINILEH-UHFFFAOYSA-N
XLogP2.73
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46549067
N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56570097
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41118340
2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55468897
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46614987
6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
CID 167773553
2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55469957
2-(2-methoxyphenoxy)-N-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8503517
N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 42921548
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55498703
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55446242
(5R)-3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 11925198

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55445627) is 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCOc1ccc(C2CCCN2CC(=O)NN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is WXEAERWPINILEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-4-34-19-12-10-17(11-13-19)21-9-6-14-28(21)16-22(30)27-29-23(31)25(2,26-24(29)32)18-7-5-8-20(15-18)33-3/h5,7-8,10-13,15,21H,4,6,9,14,16H2,1-3H3,(H,26,32)(H,27,30).
What are the key properties of 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 466.54 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55445627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).