N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione

C26H32N2O7 — CID 160912723

IUPACN-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione
SMILESCC.CC.CC(=O)NCNC(C)=O.O=C1CC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21
InChIInChI=1S/C9H6O2.C8H4O3.C5H10N2O2.2C2H6/c10-8-5-9(11)7-4-2-1-3-6(7)8;9-7-5-3-1-2-4-6(5)8(10)11-7;1-4(8)6-3-7-5(2)9;2*1-2/h1-4H,5H2;1-4H;3H2,1-2H3,(H,6,8)(H,7,9);2*1-2H3
InChIKeySQZPLFKLQVRELI-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.72
Rot. Bonds2

About N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione

N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione (PubChem CID 160912723) has the molecular formula C26H32N2O7 and a molecular weight of 484.55 g/mol. Its IUPAC name is N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione.

Molecular Properties

Compound NameN-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione
PubChem CID160912723
Molecular FormulaC26H32N2O7
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC NameN-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione
SMILESCC.CC.CC(=O)NCNC(C)=O.O=C1CC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21
InChIInChI=1S/C9H6O2.C8H4O3.C5H10N2O2.2C2H6/c10-8-5-9(11)7-4-2-1-3-6(7)8;9-7-5-3-1-2-4-6(5)8(10)11-7;1-4(8)6-3-7-5(2)9;2*1-2/h1-4H,5H2;1-4H;3H2,1-2H3,(H,6,8)(H,7,9);2*1-2H3
InChIKeySQZPLFKLQVRELI-UHFFFAOYSA-N
XLogP3.72
TPSA135.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(2-benzofuran-1,3-dione);ethane
CID 143680396
2-benzofuran-1,3-dione;ethane;propane
CID 91608967
tris(2-benzofuran-1,3-dione);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;indene-1,3-dione;propane
CID 162211162
2-benzofuran-1,3-dione;ethane;methane;propane
CID 159420512
benzene;2-benzofuran-1,3-dione;ethane;propane
CID 158385205
2-benzofuran-1,3-dione;ethane;molecular iodine
CID 160781594
2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732
2-benzofuran-1,3-dione;urea
CID 87353578
benzene;bis(2-benzofuran-1,3-dione);propane
CID 157076955
azane;2-benzofuran-1,3-dione;butane
CID 173276940
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
CID 143956506

Frequently Asked Questions

What is the IUPAC name of N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione?
The IUPAC name of N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione (CID 160912723) is N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione.
What is the SMILES notation for N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione?
The canonical SMILES for N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione is CC.CC.CC(=O)NCNC(C)=O.O=C1CC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21.
What is the InChIKey of N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione?
The InChIKey is SQZPLFKLQVRELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.C8H4O3.C5H10N2O2.2C2H6/c10-8-5-9(11)7-4-2-1-3-6(7)8;9-7-5-3-1-2-4-6(5)8(10)11-7;1-4(8)6-3-7-5(2)9;2*1-2/h1-4H,5H2;1-4H;3H2,1-2H3,(H,6,8)(H,7,9);2*1-2H3.
What are the key properties of N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione?
N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione has a molecular weight of 484.55 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetamidomethyl)acetamide;2-benzofuran-1,3-dione;ethane;indene-1,3-dione is sourced from PubChem (CID 160912723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).