3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide

C22H23N3O5 — CID 46657706

IUPAC3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C22H23N3O5/c1-22(12-11-15-5-3-2-4-6-15)20(27)25(21(28)23-22)24-19(26)10-8-16-7-9-17-18(13-16)30-14-29-17/h2-7,9,13H,8,10-12,14H2,1H3,(H,23,28)(H,24,26)
InChIKeyLGPYQXSLWJPODQ-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.32
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide (PubChem CID 46657706) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
PubChem CID46657706
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C22H23N3O5/c1-22(12-11-15-5-3-2-4-6-15)20(27)25(21(28)23-22)24-19(26)10-8-16-7-9-17-18(13-16)30-14-29-17/h2-7,9,13H,8,10-12,14H2,1H3,(H,23,28)(H,24,26)
InChIKeyLGPYQXSLWJPODQ-UHFFFAOYSA-N
XLogP2.32
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.32
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

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51106618
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016403
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8924194
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 51935433
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 8695250
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 51724563
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8580961
2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 18088774
4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 55438287

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide (CID 46657706) is 3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide?
The InChIKey is LGPYQXSLWJPODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-22(12-11-15-5-3-2-4-6-15)20(27)25(21(28)23-22)24-19(26)10-8-16-7-9-17-18(13-16)30-14-29-17/h2-7,9,13H,8,10-12,14H2,1H3,(H,23,28)(H,24,26).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide has a molecular weight of 409.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide is sourced from PubChem (CID 46657706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).