[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C29H24N2O4 — CID 16587551

IUPAC[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCC(NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C29H24N2O4/c1-19(21-14-8-10-20-9-2-3-11-22(20)21)30-27(32)18-35-28(33)17-31-25-15-6-4-12-23(25)29(34)24-13-5-7-16-26(24)31/h2-16,19H,17-18H2,1H3,(H,30,32)
InChIKeyNMEQTFJVQYAZPK-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.73
Rot. Bonds6

About [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587551) has the molecular formula C29H24N2O4 and a molecular weight of 464.52 g/mol. Its IUPAC name is [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587551
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC Name[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCC(NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C29H24N2O4/c1-19(21-14-8-10-20-9-2-3-11-22(20)21)30-27(32)18-35-28(33)17-31-25-15-6-4-12-23(25)29(34)24-13-5-7-16-26(24)31/h2-16,19H,17-18H2,1H3,(H,30,32)
InChIKeyNMEQTFJVQYAZPK-UHFFFAOYSA-N
XLogP4.73
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.73
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-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 18205918
[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587232
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587509
[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587341
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806359
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9080532
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8626531
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25347204
N-[1-(4-ethoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16622504

Frequently Asked Questions

What is the IUPAC name of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16587551) is [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is CC(NC(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc2ccccc12.
What is the InChIKey of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is NMEQTFJVQYAZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-19(21-14-8-10-20-9-2-3-11-22(20)21)30-27(32)18-35-28(33)17-31-25-15-6-4-12-23(25)29(34)24-13-5-7-16-26(24)31/h2-16,19H,17-18H2,1H3,(H,30,32).
What are the key properties of [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 464.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).