[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C21H22N2O4 — CID 16587341

IUPAC[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCCCCNC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-2-3-12-22-19(24)14-27-20(25)13-23-17-10-6-4-8-15(17)21(26)16-9-5-7-11-18(16)23/h4-11H,2-3,12-14H2,1H3,(H,22,24)
InChIKeySFAYENJQPLNLIL-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.61
Rot. Bonds7

About [2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587341) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587341
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCCCCNC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-2-3-12-22-19(24)14-27-20(25)13-23-17-10-6-4-8-15(17)21(26)16-9-5-7-11-18(16)23/h4-11H,2-3,12-14H2,1H3,(H,22,24)
InChIKeySFAYENJQPLNLIL-UHFFFAOYSA-N
XLogP2.61
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612576
[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587509
[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587205
[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587232
ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate
CID 16587255
[2-(2-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587263
[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587173
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587551
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587301
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358

Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16587341) is [2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is CCCCNC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of [2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is SFAYENJQPLNLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-2-3-12-22-19(24)14-27-20(25)13-23-17-10-6-4-8-15(17)21(26)16-9-5-7-11-18(16)23/h4-11H,2-3,12-14H2,1H3,(H,22,24).
What are the key properties of [2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 366.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).