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

C20H22N4O5 — CID 75492502

IUPAC2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3cccnc3)C2=O)cc1OC
InChIInChI=1S/C20H22N4O5/c1-28-16-6-5-13(8-17(16)29-2)12-24-19(26)15(23-20(24)27)9-18(25)22-11-14-4-3-7-21-10-14/h3-8,10,15H,9,11-12H2,1-2H3,(H,22,25)(H,23,27)/t15-/m0/s1
InChIKeyUJDZVRHFQAWIPK-HNNXBMFYSA-N
MW398.42 g/mol
LogP1.23
Rot. Bonds8

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

2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 75492502) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID75492502
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3cccnc3)C2=O)cc1OC
InChIInChI=1S/C20H22N4O5/c1-28-16-6-5-13(8-17(16)29-2)12-24-19(26)15(23-20(24)27)9-18(25)22-11-14-4-3-7-21-10-14/h3-8,10,15H,9,11-12H2,1-2H3,(H,22,25)(H,23,27)/t15-/m0/s1
InChIKeyUJDZVRHFQAWIPK-HNNXBMFYSA-N
XLogP1.23
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.23
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-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methylpropyl)acetamide
CID 75490972
N-benzyl-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210252
N-benzyl-3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75491960
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide
CID 99871291
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 71829380
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 110210455
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
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 91638329
2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 122169366

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 75492502) is 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3cccnc3)C2=O)cc1OC.
What is the InChIKey of 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is UJDZVRHFQAWIPK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-28-16-6-5-13(8-17(16)29-2)12-24-19(26)15(23-20(24)27)9-18(25)22-11-14-4-3-7-21-10-14/h3-8,10,15H,9,11-12H2,1-2H3,(H,22,25)(H,23,27)/t15-/m0/s1.
What are the key properties of 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 398.42 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 75492502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).