2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide

C16H19N3O3 — CID 18776936

IUPAC2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C16H19N3O3/c1-18(2)13(20)10-19-14(21)16(17-15(19)22)9-5-7-11-6-3-4-8-12(11)16/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,17,22)
InChIKeyGMFLAJYXMPPJTH-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.86
Rot. Bonds2

About 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide (PubChem CID 18776936) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide
PubChem CID18776936
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C16H19N3O3/c1-18(2)13(20)10-19-14(21)16(17-15(19)22)9-5-7-11-6-3-4-8-12(11)16/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,17,22)
InChIKeyGMFLAJYXMPPJTH-UHFFFAOYSA-N
XLogP0.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide (CID 18776936) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide?
The InChIKey is GMFLAJYXMPPJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18(2)13(20)10-19-14(21)16(17-15(19)22)9-5-7-11-6-3-4-8-12(11)16/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,17,22).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide?
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide has a molecular weight of 301.35 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 18776936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).