3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide

C23H28N4O5 — CID 75465482

IUPAC3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1ccc(CCN2C(=O)NC(CCC(=O)NCCc3ccncc3)C2=O)cc1OC
InChIInChI=1S/C23H28N4O5/c1-31-19-5-3-17(15-20(19)32-2)10-14-27-22(29)18(26-23(27)30)4-6-21(28)25-13-9-16-7-11-24-12-8-16/h3,5,7-8,11-12,15,18H,4,6,9-10,13-14H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyQBEWCVBNXBWHGA-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.70
Rot. Bonds11

About 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide

3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 75465482) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID75465482
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1ccc(CCN2C(=O)NC(CCC(=O)NCCc3ccncc3)C2=O)cc1OC
InChIInChI=1S/C23H28N4O5/c1-31-19-5-3-17(15-20(19)32-2)10-14-27-22(29)18(26-23(27)30)4-6-21(28)25-13-9-16-7-11-24-12-8-16/h3,5,7-8,11-12,15,18H,4,6,9-10,13-14H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyQBEWCVBNXBWHGA-UHFFFAOYSA-N
XLogP1.70
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.70
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

3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 124864039
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124673723
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124863789
3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide
CID 71831317
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 110210172
3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 75488799
N-benzyl-3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75491960
N-benzyl-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210252
2-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 124862585
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 110209763
3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124861341
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 51829659

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide (CID 75465482) is 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide is COc1ccc(CCN2C(=O)NC(CCC(=O)NCCc3ccncc3)C2=O)cc1OC.
What is the InChIKey of 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is QBEWCVBNXBWHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-31-19-5-3-17(15-20(19)32-2)10-14-27-22(29)18(26-23(27)30)4-6-21(28)25-13-9-16-7-11-24-12-8-16/h3,5,7-8,11-12,15,18H,4,6,9-10,13-14H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide?
3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 440.50 g/mol, XLogP of 1.70, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 75465482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).