N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide

C16H18N2O4 — CID 129281536

IUPACN-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)C(OCCN(C)C)=CC2=O
InChIInChI=1S/C16H18N2O4/c1-10(19)17-12-6-4-5-11-13(20)9-14(16(21)15(11)12)22-8-7-18(2)3/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyJNQKJKJZTYHULB-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.49
Rot. Bonds5

About N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide

N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide (PubChem CID 129281536) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide
PubChem CID129281536
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)C(OCCN(C)C)=CC2=O
InChIInChI=1S/C16H18N2O4/c1-10(19)17-12-6-4-5-11-13(20)9-14(16(21)15(11)12)22-8-7-18(2)3/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyJNQKJKJZTYHULB-UHFFFAOYSA-N
XLogP1.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide
CID 129281534
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione
CID 46885663
N-(6-bromo-7-methyl-5,8-dioxonaphthalen-1-yl)acetamide
CID 70291421
N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24507647
N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide
CID 166477963
N-[2-[5-(4-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-4-yl]acetamide
CID 91261906
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
8-hydroxy-2-methoxynaphthalene-1,4-dione
CID 609303
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
CID 143956506
N'-[2-[[5-[2-(dimethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]ethanimidamide
CID 88981129
methyl 2-[[2-[[8-[[2-[(2-methoxy-2-oxoethyl)-methylamino]acetyl]amino]-9,10-dioxoanthracen-1-yl]amino]-2-oxoethyl]-methylamino]acetate
CID 46244694

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide?
The IUPAC name of N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide (CID 129281536) is N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide?
The canonical SMILES for N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c1C(=O)C(OCCN(C)C)=CC2=O.
What is the InChIKey of N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide?
The InChIKey is JNQKJKJZTYHULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10(19)17-12-6-4-5-11-13(20)9-14(16(21)15(11)12)22-8-7-18(2)3/h4-6,9H,7-8H2,1-3H3,(H,17,19).
What are the key properties of N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide?
N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide has a molecular weight of 302.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide is sourced from PubChem (CID 129281536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).