2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide

C27H30N4O4 — CID 118956914

IUPAC2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCC21NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C2CC2)C1=O
InChIInChI=1S/C27H30N4O4/c1-17(20-8-9-20)30(15-19-6-4-3-5-7-19)24(33)16-31-25(34)27(29-26(31)35)13-12-21-14-22(28-18(2)32)10-11-23(21)27/h3-7,10-11,14,17,20H,8-9,12-13,15-16H2,1-2H3,(H,28,32)(H,29,35)
InChIKeyAKKOLAYSRGICKG-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.17
Rot. Bonds7

About 2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide

2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide (PubChem CID 118956914) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide
PubChem CID118956914
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCC21NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C2CC2)C1=O
InChIInChI=1S/C27H30N4O4/c1-17(20-8-9-20)30(15-19-6-4-3-5-7-19)24(33)16-31-25(34)27(29-26(31)35)13-12-21-14-22(28-18(2)32)10-11-23(21)27/h3-7,10-11,14,17,20H,8-9,12-13,15-16H2,1-2H3,(H,28,32)(H,29,35)
InChIKeyAKKOLAYSRGICKG-UHFFFAOYSA-N
XLogP3.17
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide?
The IUPAC name of 2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide (CID 118956914) is 2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide is CC(=O)Nc1ccc2c(c1)CCC21NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C2CC2)C1=O.
What is the InChIKey of 2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide?
The InChIKey is AKKOLAYSRGICKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-17(20-8-9-20)30(15-19-6-4-3-5-7-19)24(33)16-31-25(34)27(29-26(31)35)13-12-21-14-22(28-18(2)32)10-11-23(21)27/h3-7,10-11,14,17,20H,8-9,12-13,15-16H2,1-2H3,(H,28,32)(H,29,35).
What are the key properties of 2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide?
2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide has a molecular weight of 474.56 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide is sourced from PubChem (CID 118956914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).