3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide

C24H21N3O4 — CID 55840369

IUPAC3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H21N3O4/c25-22(28)13-14-31-17-11-9-16(10-12-17)26-23(29)15-27-20-7-3-1-5-18(20)24(30)19-6-2-4-8-21(19)27/h1-12H,13-15H2,(H2,25,28)(H,26,29)
InChIKeyGWZGQPOXTGRSTE-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.05
Rot. Bonds7

About 3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide

3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide (PubChem CID 55840369) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide
PubChem CID55840369
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H21N3O4/c25-22(28)13-14-31-17-11-9-16(10-12-17)26-23(29)15-27-20-7-3-1-5-18(20)24(30)19-6-2-4-8-21(19)27/h1-12H,13-15H2,(H2,25,28)(H,26,29)
InChIKeyGWZGQPOXTGRSTE-UHFFFAOYSA-N
XLogP3.05
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
2-(9-oxoacridin-10-yl)-N-(2-phenoxyethyl)acetamide
CID 26024228
2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 6615367
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16583698
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 30041609
2-(2-methoxy-9-oxoacridin-10-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 6616693
[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587173
N-[4-(1H-imidazol-2-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60613296
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 26053126

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide?
The IUPAC name of 3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide (CID 55840369) is 3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide.
What is the SMILES notation for 3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide?
The canonical SMILES for 3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide is NC(=O)CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide?
The InChIKey is GWZGQPOXTGRSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c25-22(28)13-14-31-17-11-9-16(10-12-17)26-23(29)15-27-20-7-3-1-5-18(20)24(30)19-6-2-4-8-21(19)27/h1-12H,13-15H2,(H2,25,28)(H,26,29).
What are the key properties of 3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide?
3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide has a molecular weight of 415.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide is sourced from PubChem (CID 55840369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).