N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide

C15H17N3O5 — CID 47047939

IUPACN-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2CC(=O)NC2=O)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C15H17N3O5/c1-7-11-8(19)4-15(2,3)5-9(11)23-12(7)13(21)17-18-6-10(20)16-14(18)22/h4-6H2,1-3H3,(H,17,21)(H,16,20,22)
InChIKeyFGICOIKRNNYXPK-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.94
Rot. Bonds2

About N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide

N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide (PubChem CID 47047939) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
PubChem CID47047939
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2CC(=O)NC2=O)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C15H17N3O5/c1-7-11-8(19)4-15(2,3)5-9(11)23-12(7)13(21)17-18-6-10(20)16-14(18)22/h4-6H2,1-3H3,(H,17,21)(H,16,20,22)
InChIKeyFGICOIKRNNYXPK-UHFFFAOYSA-N
XLogP0.94
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,6,6-trimethyl-N-(4-methylpiperazin-1-yl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18832028
N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide
CID 18832067
N-(2,4-dioxoimidazolidin-1-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 36192030
3,6,6-trimethyl-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-5,7-dihydro-1-benzofuran-2-carboxamide
CID 45830413
N-[2-(dimethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 47046782
N-[2-(diethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 48425555
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 55770530
N-(2-amino-2-oxoethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 86845595
N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 87000720

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide (CID 47047939) is N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide is Cc1c(C(=O)NN2CC(=O)NC2=O)oc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FGICOIKRNNYXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-7-11-8(19)4-15(2,3)5-9(11)23-12(7)13(21)17-18-6-10(20)16-14(18)22/h4-6H2,1-3H3,(H,17,21)(H,16,20,22).
What are the key properties of N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxoimidazolidin-1-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47047939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).