N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

C18H20N4O3 — CID 95320994

IUPACN-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESCC(C)[C@H](C#N)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C18H20N4O3/c1-11(2)14(9-19)20-15(23)10-22-16(24)18(21-17(22)25)8-7-12-5-3-4-6-13(12)18/h3-6,11,14H,7-8,10H2,1-2H3,(H,20,23)(H,21,25)/t14-,18-/m0/s1
InChIKeyVTWNKXNDLHIKOJ-KSSFIOAISA-N
MW340.38 g/mol
LogP1.04
Rot. Bonds4

About N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 95320994) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
PubChem CID95320994
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESCC(C)[C@H](C#N)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C18H20N4O3/c1-11(2)14(9-19)20-15(23)10-22-16(24)18(21-17(22)25)8-7-12-5-3-4-6-13(12)18/h3-6,11,14H,7-8,10H2,1-2H3,(H,20,23)(H,21,25)/t14-,18-/m0/s1
InChIKeyVTWNKXNDLHIKOJ-KSSFIOAISA-N
XLogP1.04
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]propanoic acid
CID 119238616
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 17395661
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18097547
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17440300
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 51202201
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 92509522
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
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
N-(4-cyanophenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2702932
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4810168
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
CID 41077087

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (CID 95320994) is N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is CC(C)[C@H](C#N)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O.
What is the InChIKey of N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is VTWNKXNDLHIKOJ-KSSFIOAISA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(2)14(9-19)20-15(23)10-22-16(24)18(21-17(22)25)8-7-12-5-3-4-6-13(12)18/h3-6,11,14H,7-8,10H2,1-2H3,(H,20,23)(H,21,25)/t14-,18-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 95320994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).