N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide

C25H25N3O2 — CID 42883507

IUPACN-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCN(C)CC(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-27(2)16-21(18-10-4-3-5-11-18)26-24(29)17-28-22-14-8-6-12-19(22)25(30)20-13-7-9-15-23(20)28/h3-15,21H,16-17H2,1-2H3,(H,26,29)
InChIKeyBVAPNESGTNHGQH-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.57
Rot. Bonds6

About N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide

N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 42883507) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID42883507
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCN(C)CC(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-27(2)16-21(18-10-4-3-5-11-18)26-24(29)17-28-22-14-8-6-12-19(22)25(30)20-13-7-9-15-23(20)28/h3-15,21H,16-17H2,1-2H3,(H,26,29)
InChIKeyBVAPNESGTNHGQH-UHFFFAOYSA-N
XLogP3.57
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
N'-methyl-2-(9-oxoacridin-10-yl)-N'-phenylacetohydrazide
CID 25332872
N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 42939371
N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42933992
(2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid
CID 40637276
N-[2-(dimethylamino)-1-phenylethyl]-1-methylindole-3-carboxamide
CID 24504351
N-[2-(dimethylamino)-1-phenylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958162
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8936932
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 30044158
2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134051234
[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587232

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide (CID 42883507) is N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide is CN(C)CC(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is BVAPNESGTNHGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-27(2)16-21(18-10-4-3-5-11-18)26-24(29)17-28-22-14-8-6-12-19(22)25(30)20-13-7-9-15-23(20)28/h3-15,21H,16-17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 42883507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).