N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

C17H17N3O4 — CID 51101004

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NC2CCc3ccccc32)C1=O
InChIInChI=1S/C17H17N3O4/c1-2-9-19-15(22)16(23)20(17(19)24)10-14(21)18-13-8-7-11-5-3-4-6-12(11)13/h2-6,13H,1,7-10H2,(H,18,21)
InChIKeySDQBWGHGMXLROU-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.77
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (PubChem CID 51101004) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
PubChem CID51101004
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NC2CCc3ccccc32)C1=O
InChIInChI=1S/C17H17N3O4/c1-2-9-19-15(22)16(23)20(17(19)24)10-14(21)18-13-8-7-11-5-3-4-6-12(11)13/h2-6,13H,1,7-10H2,(H,18,21)
InChIKeySDQBWGHGMXLROU-UHFFFAOYSA-N
XLogP0.77
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51273562
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7823957
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 17464756
N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide
CID 100952588
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7688342
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 51642054
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 26202111
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 92726920
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 129421535
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17483792

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (CID 51101004) is N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is C=CCN1C(=O)C(=O)N(CC(=O)NC2CCc3ccccc32)C1=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The InChIKey is SDQBWGHGMXLROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-2-9-19-15(22)16(23)20(17(19)24)10-14(21)18-13-8-7-11-5-3-4-6-12(11)13/h2-6,13H,1,7-10H2,(H,18,21).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 51101004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).