N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide

C23H25N3O4 — CID 3921031

IUPACN-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C23H25N3O4/c1-16(2)25(14-17-8-4-3-5-9-17)20(27)15-26-21(28)23(24-22(26)29)12-13-30-19-11-7-6-10-18(19)23/h3-11,16H,12-15H2,1-2H3,(H,24,29)
InChIKeyCGRUOZYASMBPLX-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.65
Rot. Bonds5

About N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide

N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide (PubChem CID 3921031) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide
PubChem CID3921031
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C23H25N3O4/c1-16(2)25(14-17-8-4-3-5-9-17)20(27)15-26-21(28)23(24-22(26)29)12-13-30-19-11-7-6-10-18(19)23/h3-11,16H,12-15H2,1-2H3,(H,24,29)
InChIKeyCGRUOZYASMBPLX-UHFFFAOYSA-N
XLogP2.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
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 N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide (CID 3921031) is N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O.
What is the InChIKey of N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide?
The InChIKey is CGRUOZYASMBPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16(2)25(14-17-8-4-3-5-9-17)20(27)15-26-21(28)23(24-22(26)29)12-13-30-19-11-7-6-10-18(19)23/h3-11,16H,12-15H2,1-2H3,(H,24,29).
What are the key properties of N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide has a molecular weight of 407.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 3921031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).