N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C18H21N3O3 — CID 17395661

IUPACN-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)C1CC1
InChIInChI=1S/C18H21N3O3/c1-11(12-6-7-12)19-15(22)10-21-16(23)18(20-17(21)24)9-8-13-4-2-3-5-14(13)18/h2-5,11-12H,6-10H2,1H3,(H,19,22)(H,20,24)
InChIKeyXTXVAQRTGYYTTM-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.29
Rot. Bonds4

About N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 17395661) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
PubChem CID17395661
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)C1CC1
InChIInChI=1S/C18H21N3O3/c1-11(12-6-7-12)19-15(22)10-21-16(23)18(20-17(21)24)9-8-13-4-2-3-5-14(13)18/h2-5,11-12H,6-10H2,1H3,(H,19,22)(H,20,24)
InChIKeyXTXVAQRTGYYTTM-UHFFFAOYSA-N
XLogP1.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 51202201
(2S)-2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]propanoic acid
CID 119238616
N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 95320994
N-cyclopentyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4010714
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17440300
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18097547
N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680847
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 92509522
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
CID 124735062
N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride
CID 119590819
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 2706180
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide
CID 94116551

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 17395661) is N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is CC(NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is XTXVAQRTGYYTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11(12-6-7-12)19-15(22)10-21-16(23)18(20-17(21)24)9-8-13-4-2-3-5-14(13)18/h2-5,11-12H,6-10H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 17395661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).