N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide

C23H27N3O5 — CID 91636561

IUPACN-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CC(=O)N(C)Cc3ccccc3)C2=O)cc1OC
InChIInChI=1S/C23H27N3O5/c1-25(15-17-7-5-4-6-8-17)21(27)14-18-22(28)26(23(29)24-18)12-11-16-9-10-19(30-2)20(13-16)31-3/h4-10,13,18H,11-12,14-15H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKeyUZNCWPAXYPSMMJ-SFHVURJKSA-N
MW425.49 g/mol
LogP2.22
Rot. Bonds9

About N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide

N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide (PubChem CID 91636561) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
PubChem CID91636561
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CC(=O)N(C)Cc3ccccc3)C2=O)cc1OC
InChIInChI=1S/C23H27N3O5/c1-25(15-17-7-5-4-6-8-17)21(27)14-18-22(28)26(23(29)24-18)12-11-16-9-10-19(30-2)20(13-16)31-3/h4-10,13,18H,11-12,14-15H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKeyUZNCWPAXYPSMMJ-SFHVURJKSA-N
XLogP2.22
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
(5S)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 91638554
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
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide
CID 108997410
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-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75531974
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 126418452
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-methylacetamide
CID 126418710
5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 75356598
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 91637557

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide (CID 91636561) is N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide is COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N(C)Cc3ccccc3)C2=O)cc1OC.
What is the InChIKey of N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The InChIKey is UZNCWPAXYPSMMJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-25(15-17-7-5-4-6-8-17)21(27)14-18-22(28)26(23(29)24-18)12-11-16-9-10-19(30-2)20(13-16)31-3/h4-10,13,18H,11-12,14-15H2,1-3H3,(H,24,29)/t18-/m0/s1.
What are the key properties of N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide has a molecular weight of 425.49 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 91636561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).