N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide

C23H25N3O5 — CID 25483111

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O
InChIInChI=1S/C23H25N3O5/c1-2-25(13-17-9-11-19-20(12-17)31-15-30-19)21(27)14-26-22(28)18(24-23(26)29)10-8-16-6-4-3-5-7-16/h3-7,9,11-12,18H,2,8,10,13-15H2,1H3,(H,24,29)/t18-/m1/s1
InChIKeyCWDXUIFFSFLDRR-GOSISDBHSA-N
MW423.47 g/mol
LogP2.32
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide (PubChem CID 25483111) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
PubChem CID25483111
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O
InChIInChI=1S/C23H25N3O5/c1-2-25(13-17-9-11-19-20(12-17)31-15-30-19)21(27)14-26-22(28)18(24-23(26)29)10-8-16-6-4-3-5-7-16/h3-7,9,11-12,18H,2,8,10,13-15H2,1H3,(H,24,29)/t18-/m1/s1
InChIKeyCWDXUIFFSFLDRR-GOSISDBHSA-N
XLogP2.32
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9341742
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide
CID 17414523
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51190126
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 97061444
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2597901
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41273751
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51841514
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
CID 99871295

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide (CID 25483111) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide?
The InChIKey is CWDXUIFFSFLDRR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-2-25(13-17-9-11-19-20(12-17)31-15-30-19)21(27)14-26-22(28)18(24-23(26)29)10-8-16-6-4-3-5-7-16/h3-7,9,11-12,18H,2,8,10,13-15H2,1H3,(H,24,29)/t18-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide has a molecular weight of 423.47 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 25483111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).