N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C23H25N3O6 — CID 125429621

IUPACN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)C2=O)cc1
InChIInChI=1S/C23H25N3O6/c1-30-15-7-5-14(6-8-15)26-22(28)18(25-23(26)29)12-21(27)24-17-9-4-13-10-19(31-2)20(32-3)11-16(13)17/h5-8,10-11,17-18H,4,9,12H2,1-3H3,(H,24,27)(H,25,29)/t17-,18-/m0/s1
InChIKeyGLFWTRKKRAAJPV-ROUUACIJSA-N
MW439.47 g/mol
LogP2.33
Rot. Bonds7

About N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 125429621) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID125429621
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)C2=O)cc1
InChIInChI=1S/C23H25N3O6/c1-30-15-7-5-14(6-8-15)26-22(28)18(25-23(26)29)12-21(27)24-17-9-4-13-10-19(31-2)20(32-3)11-16(13)17/h5-8,10-11,17-18H,4,9,12H2,1-3H3,(H,24,27)(H,25,29)/t17-,18-/m0/s1
InChIKeyGLFWTRKKRAAJPV-ROUUACIJSA-N
XLogP2.33
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.33
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

N-(1,1-dioxothiolan-3-yl)-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 102564371
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124848736
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 125432017
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide
CID 125431301
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide
CID 125432031
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124861754
N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823488
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91821591
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 110399711
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 10864538

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 125429621) is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)C2=O)cc1.
What is the InChIKey of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is GLFWTRKKRAAJPV-ROUUACIJSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-30-15-7-5-14(6-8-15)26-22(28)18(25-23(26)29)12-21(27)24-17-9-4-13-10-19(31-2)20(32-3)11-16(13)17/h5-8,10-11,17-18H,4,9,12H2,1-3H3,(H,24,27)(H,25,29)/t17-,18-/m0/s1.
What are the key properties of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 439.47 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 125429621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).