N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C20H25N3O5 — CID 7484104

IUPACN-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C20H25N3O5/c1-20(13-7-8-15-16(11-13)28-10-9-27-15)18(25)23(19(26)22-20)12-17(24)21-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,21,24)(H,22,26)/t20-/m1/s1
InChIKeyPYVNQLHJJPAGQG-HXUWFJFHSA-N
MW387.44 g/mol
LogP1.67
Rot. Bonds4

About N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7484104) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7484104
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C20H25N3O5/c1-20(13-7-8-15-16(11-13)28-10-9-27-15)18(25)23(19(26)22-20)12-17(24)21-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,21,24)(H,22,26)/t20-/m1/s1
InChIKeyPYVNQLHJJPAGQG-HXUWFJFHSA-N
XLogP1.67
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 40931197
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7483939
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 7691971
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 7483911
N-cyclooctyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250040
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2705918
N-cyclopentyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582043
N-cyclohexyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580985
N-butyl-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962151
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 51139022
N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 41156839

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7484104) is N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NC2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is PYVNQLHJJPAGQG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-20(13-7-8-15-16(11-13)28-10-9-27-15)18(25)23(19(26)22-20)12-17(24)21-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,21,24)(H,22,26)/t20-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7484104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).