[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C26H25N3O4 — CID 16612576

IUPAC[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCN(C)c1ccc(CNC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C26H25N3O4/c1-28(2)19-13-11-18(12-14-19)15-27-24(30)17-33-25(31)16-29-22-9-5-3-7-20(22)26(32)21-8-4-6-10-23(21)29/h3-14H,15-17H2,1-2H3,(H,27,30)
InChIKeyNTRAGFJVWIFBHK-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.08
Rot. Bonds7

About [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16612576) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16612576
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCN(C)c1ccc(CNC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C26H25N3O4/c1-28(2)19-13-11-18(12-14-19)15-27-24(30)17-33-25(31)16-29-22-9-5-3-7-20(22)26(32)21-8-4-6-10-23(21)29/h3-14H,15-17H2,1-2H3,(H,27,30)
InChIKeyNTRAGFJVWIFBHK-UHFFFAOYSA-N
XLogP3.08
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587341
[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587205
[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587509
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 9200040
[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587232
[2-(2-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587263
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 52553414
[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587173
N'-methyl-2-(9-oxoacridin-10-yl)-N'-phenylacetohydrazide
CID 25332872
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587551
N-[(4-acetamidophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 18154273

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16612576) is [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is CN(C)c1ccc(CNC(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1.
What is the InChIKey of [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is NTRAGFJVWIFBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-28(2)19-13-11-18(12-14-19)15-27-24(30)17-33-25(31)16-29-22-9-5-3-7-20(22)26(32)21-8-4-6-10-23(21)29/h3-14H,15-17H2,1-2H3,(H,27,30).
What are the key properties of [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 443.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16612576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).