N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide

C26H21NO7 — CID 501494

IUPACN-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide
SMILESCOc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(NC(C)=O)=CC3=O)C2=O
InChIInChI=1S/C26H21NO7/c1-11-6-15-22(20(7-11)33-4)19(30)9-16(24(15)31)21-12(2)8-14-18(29)10-17(27-13(3)28)25(32)23(14)26(21)34-5/h6-10H,1-5H3,(H,27,28)
InChIKeyNEIMDCVHTBPTJU-UHFFFAOYSA-N
MW459.45 g/mol
LogP3.18
Rot. Bonds4

About N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide

N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide (PubChem CID 501494) has the molecular formula C26H21NO7 and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide
PubChem CID501494
Molecular FormulaC26H21NO7
Molecular Weight459.45 g/mol
Exact Mass459.13
IUPAC NameN-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide
SMILESCOc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(NC(C)=O)=CC3=O)C2=O
InChIInChI=1S/C26H21NO7/c1-11-6-15-22(20(7-11)33-4)19(30)9-16(24(15)31)21-12(2)8-14-18(29)10-17(27-13(3)28)25(32)23(14)26(21)34-5/h6-10H,1-5H3,(H,27,28)
InChIKeyNEIMDCVHTBPTJU-UHFFFAOYSA-N
XLogP3.18
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide?
The IUPAC name of N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide (CID 501494) is N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide?
The canonical SMILES for N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide is COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(NC(C)=O)=CC3=O)C2=O.
What is the InChIKey of N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide?
The InChIKey is NEIMDCVHTBPTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO7/c1-11-6-15-22(20(7-11)33-4)19(30)9-16(24(15)31)21-12(2)8-14-18(29)10-17(27-13(3)28)25(32)23(14)26(21)34-5/h6-10H,1-5H3,(H,27,28).
What are the key properties of N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide?
N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide has a molecular weight of 459.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]acetamide is sourced from PubChem (CID 501494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).