N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide

C17H18N2O4 — CID 2870836

IUPACN-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCC(=O)N(C)C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H18N2O4/c1-11(20)18(2)14-15(19-7-9-23-10-8-19)17(22)13-6-4-3-5-12(13)16(14)21/h3-6H,7-10H2,1-2H3
InChIKeyXLQDLTNRQJXBOY-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.09
Rot. Bonds2

About N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide

N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide (PubChem CID 2870836) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
PubChem CID2870836
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCC(=O)N(C)C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H18N2O4/c1-11(20)18(2)14-15(19-7-9-23-10-8-19)17(22)13-6-4-3-5-12(13)16(14)21/h3-6H,7-10H2,1-2H3
InChIKeyXLQDLTNRQJXBOY-UHFFFAOYSA-N
XLogP1.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The IUPAC name of N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide (CID 2870836) is N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide is CC(=O)N(C)C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The InChIKey is XLQDLTNRQJXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(20)18(2)14-15(19-7-9-23-10-8-19)17(22)13-6-4-3-5-12(13)16(14)21/h3-6H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide is sourced from PubChem (CID 2870836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).