[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C30H24N2O4 — CID 16587232

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O4/c33-27(31-29(21-11-3-1-4-12-21)22-13-5-2-6-14-22)20-36-28(34)19-32-25-17-9-7-15-23(25)30(35)24-16-8-10-18-26(24)32/h1-18,29H,19-20H2,(H,31,33)
InChIKeyWGNYFVUNCAPZNW-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.60
Rot. Bonds7

About [2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587232) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587232
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O4/c33-27(31-29(21-11-3-1-4-12-21)22-13-5-2-6-14-22)20-36-28(34)19-32-25-17-9-7-15-23(25)30(35)24-16-8-10-18-26(24)32/h1-18,29H,19-20H2,(H,31,33)
InChIKeyWGNYFVUNCAPZNW-UHFFFAOYSA-N
XLogP4.60
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.60
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-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587509
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587551
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587212
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 43026362
[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587341
[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-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42933992
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612576
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16587232) is [2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is WGNYFVUNCAPZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c33-27(31-29(21-11-3-1-4-12-21)22-13-5-2-6-14-22)20-36-28(34)19-32-25-17-9-7-15-23(25)30(35)24-16-8-10-18-26(24)32/h1-18,29H,19-20H2,(H,31,33).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 476.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).