N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide

C28H27N3O5 — CID 17414523

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C28H27N3O5/c1-2-30(17-21-13-14-23-24(15-21)36-19-35-23)25(32)18-31-26(33)28(29-27(31)34,22-11-7-4-8-12-22)16-20-9-5-3-6-10-20/h3-15H,2,16-19H2,1H3,(H,29,34)
InChIKeyUXQCGCAOWPKWTJ-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.45
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide (PubChem CID 17414523) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide
PubChem CID17414523
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C28H27N3O5/c1-2-30(17-21-13-14-23-24(15-21)36-19-35-23)25(32)18-31-26(33)28(29-27(31)34,22-11-7-4-8-12-22)16-20-9-5-3-6-10-20/h3-15H,2,16-19H2,1H3,(H,29,34)
InChIKeyUXQCGCAOWPKWTJ-UHFFFAOYSA-N
XLogP3.45
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.45
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-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-ethylacetamide
CID 41094805
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 25483111
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9341742
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2667132
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-benzyl-N-methylacetamide
CID 7692043
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-ethylacetamide
CID 7610491
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
(5R)-5-benzyl-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7637584
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 43016293
(5S)-5-benzyl-3-phenacyl-5-phenylimidazolidine-2,4-dione
CID 7300137
N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 24565809

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide (CID 17414523) is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide?
The InChIKey is UXQCGCAOWPKWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-2-30(17-21-13-14-23-24(15-21)36-19-35-23)25(32)18-31-26(33)28(29-27(31)34,22-11-7-4-8-12-22)16-20-9-5-3-6-10-20/h3-15H,2,16-19H2,1H3,(H,29,34).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide has a molecular weight of 485.54 g/mol, XLogP of 3.45, 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-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 17414523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).