(3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide

C19H23N3O3 — CID 140734053

IUPAC(3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
SMILESC[C@H](C1CCC1)C(C(N)=O)N1C(=O)N[C@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C19H23N3O3/c1-11(12-6-4-7-12)15(16(20)23)22-17(24)19(21-18(22)25)10-9-13-5-2-3-8-14(13)19/h2-3,5,8,11-12,15H,4,6-7,9-10H2,1H3,(H2,20,23)(H,21,25)/t11-,15?,19+/m1/s1
InChIKeyDIONFIPFWWWQJV-GHFIFVTDSA-N
MW341.41 g/mol
LogP1.67
Rot. Bonds4

About (3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide

(3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide (PubChem CID 140734053) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
PubChem CID140734053
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
SMILESC[C@H](C1CCC1)C(C(N)=O)N1C(=O)N[C@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C19H23N3O3/c1-11(12-6-4-7-12)15(16(20)23)22-17(24)19(21-18(22)25)10-9-13-5-2-3-8-14(13)19/h2-3,5,8,11-12,15H,4,6-7,9-10H2,1H3,(H2,20,23)(H,21,25)/t11-,15?,19+/m1/s1
InChIKeyDIONFIPFWWWQJV-GHFIFVTDSA-N
XLogP1.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.67
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

(3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
CID 140733985
(3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
CID 140734030
(3S)-3-cyclopropyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
CID 140734054
N-[(1S)-1-cyclobutylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-3-(1-methyltriazol-4-yl)propanamide
CID 118958707
N-[(1S)-1-cyclobutylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-3-(3-methylphenyl)propanamide
CID 118957698
3'-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 119595087
N-[(1S)-1-cyclobutylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-phenylethyl)acetamide
CID 118957812
N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride
CID 119590819
N-cyclopentyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4010714
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 17395661
N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680847
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
CID 8587973

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The IUPAC name of (3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide (CID 140734053) is (3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide.
What is the SMILES notation for (3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The canonical SMILES for (3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide is C[C@H](C1CCC1)C(C(N)=O)N1C(=O)N[C@]2(CCc3ccccc32)C1=O.
What is the InChIKey of (3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The InChIKey is DIONFIPFWWWQJV-GHFIFVTDSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11(12-6-4-7-12)15(16(20)23)22-17(24)19(21-18(22)25)10-9-13-5-2-3-8-14(13)19/h2-3,5,8,11-12,15H,4,6-7,9-10H2,1H3,(H2,20,23)(H,21,25)/t11-,15?,19+/m1/s1.
What are the key properties of (3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
(3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide has a molecular weight of 341.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide is sourced from PubChem (CID 140734053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).