[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate

C26H24N2O4 — CID 16587509

IUPAC[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCC(CNC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H24N2O4/c1-18(19-9-3-2-4-10-19)15-27-24(29)17-32-25(30)16-28-22-13-7-5-11-20(22)26(31)21-12-6-8-14-23(21)28/h2-14,18H,15-17H2,1H3,(H,27,29)
InChIKeyUGTFJBKJBKHQGR-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.62
Rot. Bonds7

About [2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate

[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587509) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587509
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCC(CNC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H24N2O4/c1-18(19-9-3-2-4-10-19)15-27-24(29)17-32-25(30)16-28-22-13-7-5-11-20(22)26(31)21-12-6-8-14-23(21)28/h2-14,18H,15-17H2,1H3,(H,27,29)
InChIKeyUGTFJBKJBKHQGR-UHFFFAOYSA-N
XLogP3.62
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587232
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252
[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587341
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612576
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587551
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-naphthalen-1-ylacetate
CID 7867083
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 42939371
[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-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573479
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
CID 7703814

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16587509) is [2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate is CC(CNC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is UGTFJBKJBKHQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-18(19-9-3-2-4-10-19)15-27-24(29)17-32-25(30)16-28-22-13-7-5-11-20(22)26(31)21-12-6-8-14-23(21)28/h2-14,18H,15-17H2,1H3,(H,27,29).
What are the key properties of [2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 428.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).