2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide

C24H21N3O5 — CID 43013414

IUPAC2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
SMILESCC1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C24H21N3O5/c1-24(12-15-6-9-19-20(10-15)32-14-31-19)22(29)27(23(30)26-24)13-21(28)25-18-8-7-16-4-2-3-5-17(16)11-18/h2-11H,12-14H2,1H3,(H,25,28)(H,26,30)
InChIKeyPTQMADIMXDWHNS-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.06
Rot. Bonds5

About 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide

2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide (PubChem CID 43013414) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
PubChem CID43013414
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
SMILESCC1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C24H21N3O5/c1-24(12-15-6-9-19-20(10-15)32-14-31-19)22(29)27(23(30)26-24)13-21(28)25-18-8-7-16-4-2-3-5-17(16)11-18/h2-11H,12-14H2,1H3,(H,25,28)(H,26,30)
InChIKeyPTQMADIMXDWHNS-UHFFFAOYSA-N
XLogP3.06
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.06
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-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 8659323
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
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8659391
2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 41188241
2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43013428
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8660053
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36658926
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 7566638
N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2115786
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
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8659478

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide (CID 43013414) is 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide is CC1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C1=O.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide?
The InChIKey is PTQMADIMXDWHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-24(12-15-6-9-19-20(10-15)32-14-31-19)22(29)27(23(30)26-24)13-21(28)25-18-8-7-16-4-2-3-5-17(16)11-18/h2-11H,12-14H2,1H3,(H,25,28)(H,26,30).
What are the key properties of 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide?
2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 431.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 43013414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).