1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide

C16H19N3O4 — CID 166260838

IUPAC1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide
SMILESCC1(C)OC(=O)c2cc(C(=O)NCCN3CCNC3=O)ccc21
InChIInChI=1S/C16H19N3O4/c1-16(2)12-4-3-10(9-11(12)14(21)23-16)13(20)17-5-7-19-8-6-18-15(19)22/h3-4,9H,5-8H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyPVKWYVSUVDOPNY-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.85
Rot. Bonds4

About 1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide

1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide (PubChem CID 166260838) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide.

Molecular Properties

Compound Name1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide
PubChem CID166260838
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide
SMILESCC1(C)OC(=O)c2cc(C(=O)NCCN3CCNC3=O)ccc21
InChIInChI=1S/C16H19N3O4/c1-16(2)12-4-3-10(9-11(12)14(21)23-16)13(20)17-5-7-19-8-6-18-15(19)22/h3-4,9H,5-8H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyPVKWYVSUVDOPNY-UHFFFAOYSA-N
XLogP0.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide?
The IUPAC name of 1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide (CID 166260838) is 1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide.
What is the SMILES notation for 1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide?
The canonical SMILES for 1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide is CC1(C)OC(=O)c2cc(C(=O)NCCN3CCNC3=O)ccc21.
What is the InChIKey of 1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide?
The InChIKey is PVKWYVSUVDOPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-16(2)12-4-3-10(9-11(12)14(21)23-16)13(20)17-5-7-19-8-6-18-15(19)22/h3-4,9H,5-8H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of 1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide?
1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-benzofuran-5-carboxamide is sourced from PubChem (CID 166260838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).