2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide

C26H23NO4 — CID 22776102

IUPAC2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C26H23NO4/c1-3-16(2)17-8-11-19(12-9-17)31-15-24(28)27-18-10-13-22-23(14-18)26(30)21-7-5-4-6-20(21)25(22)29/h4-14,16H,3,15H2,1-2H3,(H,27,28)
InChIKeyZPKSKKUXDGJEGH-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.99
Rot. Bonds6

About 2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide

2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide (PubChem CID 22776102) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
PubChem CID22776102
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C26H23NO4/c1-3-16(2)17-8-11-19(12-9-17)31-15-24(28)27-18-10-13-22-23(14-18)26(30)21-7-5-4-6-20(21)25(22)29/h4-14,16H,3,15H2,1-2H3,(H,27,28)
InChIKeyZPKSKKUXDGJEGH-UHFFFAOYSA-N
XLogP4.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-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

Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 41464026
[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate
CID 17341802
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3-nitrophenyl)acetamide
CID 918526
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
dimethyl 5-[[2-[4-[(2S)-butan-2-yl]phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 1017629

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide (CID 22776102) is 2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide is CCC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The InChIKey is ZPKSKKUXDGJEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-3-16(2)17-8-11-19(12-9-17)31-15-24(28)27-18-10-13-22-23(14-18)26(30)21-7-5-4-6-20(21)25(22)29/h4-14,16H,3,15H2,1-2H3,(H,27,28).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide has a molecular weight of 413.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide is sourced from PubChem (CID 22776102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).