1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide

C26H26N4O4 — CID 122459891

IUPAC1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(C=Cc3c(C(N)=O)cccc32)C1=O
InChIInChI=1S/C26H26N4O4/c1-16(18-10-11-18)29(14-17-6-3-2-4-7-17)22(31)15-30-24(33)26(28-25(30)34)13-12-19-20(23(27)32)8-5-9-21(19)26/h2-9,12-13,16,18H,10-11,14-15H2,1H3,(H2,27,32)(H,28,34)
InChIKeyGXXOGDFVPXPFSU-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.39
Rot. Bonds7

About 1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide

1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide (PubChem CID 122459891) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide.

Molecular Properties

Compound Name1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide
PubChem CID122459891
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(C=Cc3c(C(N)=O)cccc32)C1=O
InChIInChI=1S/C26H26N4O4/c1-16(18-10-11-18)29(14-17-6-3-2-4-7-17)22(31)15-30-24(33)26(28-25(30)34)13-12-19-20(23(27)32)8-5-9-21(19)26/h2-9,12-13,16,18H,10-11,14-15H2,1H3,(H2,27,32)(H,28,34)
InChIKeyGXXOGDFVPXPFSU-UHFFFAOYSA-N
XLogP2.39
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.39
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

N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55399926
1-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(cyanomethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-5'-carboxamide
CID 122460177
N-benzyl-N-(1-cyclopropylethyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 60620285
N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118957780
N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 118957462
N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 118958027
N-benzyl-N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51923998
N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide
CID 145048809
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118957027
N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide
CID 118956776
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxyprop-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118958128
N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 118972901

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide?
The IUPAC name of 1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide (CID 122459891) is 1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide.
What is the SMILES notation for 1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide?
The canonical SMILES for 1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(C=Cc3c(C(N)=O)cccc32)C1=O.
What is the InChIKey of 1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide?
The InChIKey is GXXOGDFVPXPFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-16(18-10-11-18)29(14-17-6-3-2-4-7-17)22(31)15-30-24(33)26(28-25(30)34)13-12-19-20(23(27)32)8-5-9-21(19)26/h2-9,12-13,16,18H,10-11,14-15H2,1H3,(H2,27,32)(H,28,34).
What are the key properties of 1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide?
1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide is sourced from PubChem (CID 122459891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).