[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate

C24H23NO5 — CID 3952183

IUPAC[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H23NO5/c26-21(14-30-22(27)12-9-15-5-1-2-6-15)25-16-10-11-19-20(13-16)24(29)18-8-4-3-7-17(18)23(19)28/h3-4,7-8,10-11,13,15H,1-2,5-6,9,12,14H2,(H,25,26)
InChIKeyRSECQWNZPFOOHJ-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.91
Rot. Bonds6

About [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate

[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 3952183) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID3952183
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H23NO5/c26-21(14-30-22(27)12-9-15-5-1-2-6-15)25-16-10-11-19-20(13-16)24(29)18-8-4-3-7-17(18)23(19)28/h3-4,7-8,10-11,13,15H,1-2,5-6,9,12,14H2,(H,25,26)
InChIKeyRSECQWNZPFOOHJ-UHFFFAOYSA-N
XLogP3.91
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate 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-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2435257
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580497
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 3281750
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate
CID 4784475
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197048
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580413
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 41464026
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554863
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2521687

Frequently Asked Questions

What is the IUPAC name of [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate (CID 3952183) is [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is RSECQWNZPFOOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c26-21(14-30-22(27)12-9-15-5-1-2-6-15)25-16-10-11-19-20(13-16)24(29)18-8-4-3-7-17(18)23(19)28/h3-4,7-8,10-11,13,15H,1-2,5-6,9,12,14H2,(H,25,26).
What are the key properties of [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate?
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 405.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 3952183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).