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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).