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

C21H24N4O5 — CID 110209763

IUPAC2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(CCN2C(=O)NC(CC(=O)NCc3ccccn3)C2=O)cc1OC
InChIInChI=1S/C21H24N4O5/c1-29-17-7-6-14(11-18(17)30-2)8-10-25-20(27)16(24-21(25)28)12-19(26)23-13-15-5-3-4-9-22-15/h3-7,9,11,16H,8,10,12-13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyNQSXRWSRSIEGCI-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.27
Rot. Bonds9

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

2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 110209763) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID110209763
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(CCN2C(=O)NC(CC(=O)NCc3ccccn3)C2=O)cc1OC
InChIInChI=1S/C21H24N4O5/c1-29-17-7-6-14(11-18(17)30-2)8-10-25-20(27)16(24-21(25)28)12-19(26)23-13-15-5-3-4-9-22-15/h3-7,9,11,16H,8,10,12-13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyNQSXRWSRSIEGCI-UHFFFAOYSA-N
XLogP1.27
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.27
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-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 124862585
N-benzyl-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210252
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 110210172
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 75492502
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 100625286
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210033
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 126417321
2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 99871448
2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91640015
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043
N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 91636561

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 110209763) is 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(CCN2C(=O)NC(CC(=O)NCc3ccccn3)C2=O)cc1OC.
What is the InChIKey of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is NQSXRWSRSIEGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-29-17-7-6-14(11-18(17)30-2)8-10-25-20(27)16(24-21(25)28)12-19(26)23-13-15-5-3-4-9-22-15/h3-7,9,11,16H,8,10,12-13H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 412.45 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 110209763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).