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

C20H27N3O5 — CID 7916930

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C20H27N3O5/c1-3-4-5-6-9-20(2)18(25)23(19(26)22-20)13-17(24)21-14-7-8-15-16(12-14)28-11-10-27-15/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeySMDKIANFYCKHNS-FQEVSTJZSA-N
MW389.45 g/mol
LogP2.68
Rot. Bonds8

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7916930) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7916930
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C20H27N3O5/c1-3-4-5-6-9-20(2)18(25)23(19(26)22-20)13-17(24)21-14-7-8-15-16(12-14)28-11-10-27-15/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeySMDKIANFYCKHNS-FQEVSTJZSA-N
XLogP2.68
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3972786
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40957183
2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230058
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230060
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 25435533
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 41081003
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 17402989
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 4810361
2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 7962305
N-(4-ethoxyphenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4810358
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2081835

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7916930) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is SMDKIANFYCKHNS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-3-4-5-6-9-20(2)18(25)23(19(26)22-20)13-17(24)21-14-7-8-15-16(12-14)28-11-10-27-15/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,21,24)(H,22,26)/t20-/m0/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 389.45 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7916930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).