N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide

C22H24N2O9 — CID 59282666

IUPACN-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide
SMILESO=C1C=CC(C(=O)NCCOCCOCCOCCNC(=O)C2=CC(=O)C(=O)C=C2)=CC1=O
InChIInChI=1S/C22H24N2O9/c25-17-3-1-15(13-19(17)27)21(29)23-5-7-31-9-11-33-12-10-32-8-6-24-22(30)16-2-4-18(26)20(28)14-16/h1-4,13-14H,5-12H2,(H,23,29)(H,24,30)
InChIKeyOKXTWUJKDHEIDG-UHFFFAOYSA-N
MW460.44 g/mol
LogP-1.46
Rot. Bonds14

About N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide

N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide (PubChem CID 59282666) has the molecular formula C22H24N2O9 and a molecular weight of 460.44 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide
PubChem CID59282666
Molecular FormulaC22H24N2O9
Molecular Weight460.44 g/mol
Exact Mass460.15
IUPAC NameN-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide
SMILESO=C1C=CC(C(=O)NCCOCCOCCOCCNC(=O)C2=CC(=O)C(=O)C=C2)=CC1=O
InChIInChI=1S/C22H24N2O9/c25-17-3-1-15(13-19(17)27)21(29)23-5-7-31-9-11-33-12-10-32-8-6-24-22(30)16-2-4-18(26)20(28)14-16/h1-4,13-14H,5-12H2,(H,23,29)(H,24,30)
InChIKeyOKXTWUJKDHEIDG-UHFFFAOYSA-N
XLogP-1.46
TPSA154.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide (CID 59282666) is N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide is O=C1C=CC(C(=O)NCCOCCOCCOCCNC(=O)C2=CC(=O)C(=O)C=C2)=CC1=O.
What is the InChIKey of N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide?
The InChIKey is OKXTWUJKDHEIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O9/c25-17-3-1-15(13-19(17)27)21(29)23-5-7-31-9-11-33-12-10-32-8-6-24-22(30)16-2-4-18(26)20(28)14-16/h1-4,13-14H,5-12H2,(H,23,29)(H,24,30).
What are the key properties of N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide?
N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide has a molecular weight of 460.44 g/mol, XLogP of -1.46, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 59282666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).