N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C21H26N4O4 — CID 8602029

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C21H26N4O4/c1-21(15-7-6-13-4-3-5-14(13)10-15)19(28)25(20(29)23-21)12-18(27)24(2)11-17(26)22-16-8-9-16/h6-7,10,16H,3-5,8-9,11-12H2,1-2H3,(H,22,26)(H,23,29)/t21-/m1/s1
InChIKeyJJPGMOQVQKOMEH-OAQYLSRUSA-N
MW398.46 g/mol
LogP0.68
Rot. Bonds6

About N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 8602029) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID8602029
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C21H26N4O4/c1-21(15-7-6-13-4-3-5-14(13)10-15)19(28)25(20(29)23-21)12-18(27)24(2)11-17(26)22-16-8-9-16/h6-7,10,16H,3-5,8-9,11-12H2,1-2H3,(H,22,26)(H,23,29)/t21-/m1/s1
InChIKeyJJPGMOQVQKOMEH-OAQYLSRUSA-N
XLogP0.68
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 18085542
2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78815107
2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7883887
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 8011147
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide
CID 51653437
3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 55401238
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
N-cyclopentyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582043
N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7484104
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 40931197
N-cyclopropyl-2-[methyl-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]acetamide
CID 9286078
N-(tert-butylcarbamoyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7883905

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 8602029) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is CN(CC(=O)NC1CC1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is JJPGMOQVQKOMEH-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-21(15-7-6-13-4-3-5-14(13)10-15)19(28)25(20(29)23-21)12-18(27)24(2)11-17(26)22-16-8-9-16/h6-7,10,16H,3-5,8-9,11-12H2,1-2H3,(H,22,26)(H,23,29)/t21-/m1/s1.
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 398.46 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 8602029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).