N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide

C20H19N3O5 — CID 10407462

IUPACN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)c1
InChIInChI=1S/C20H19N3O5/c1-27-15-6-12(7-16(8-15)28-2)17(24)21-14-4-3-11-9-20(10-13(11)5-14)18(25)22-19(26)23-20/h3-8H,9-10H2,1-2H3,(H,21,24)(H2,22,23,25,26)
InChIKeyWIQOZVKTAWQQEZ-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.63
Rot. Bonds4

About N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide

N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide (PubChem CID 10407462) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide
PubChem CID10407462
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)c1
InChIInChI=1S/C20H19N3O5/c1-27-15-6-12(7-16(8-15)28-2)17(24)21-14-4-3-11-9-20(10-13(11)5-14)18(25)22-19(26)23-20/h3-8H,9-10H2,1-2H3,(H,21,24)(H2,22,23,25,26)
InChIKeyWIQOZVKTAWQQEZ-UHFFFAOYSA-N
XLogP1.63
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide (CID 10407462) is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)c1.
What is the InChIKey of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide?
The InChIKey is WIQOZVKTAWQQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-27-15-6-12(7-16(8-15)28-2)17(24)21-14-4-3-11-9-20(10-13(11)5-14)18(25)22-19(26)23-20/h3-8H,9-10H2,1-2H3,(H,21,24)(H2,22,23,25,26).
What are the key properties of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide?
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide has a molecular weight of 381.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 10407462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).