[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate

C19H18N2O5 — CID 2625469

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)CNC(=O)c2ccccc2)c1
InChIInChI=1S/C19H18N2O5/c1-13(22)15-8-5-9-16(10-15)21-17(23)12-26-18(24)11-20-19(25)14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,20,25)(H,21,23)
InChIKeyOARARBYBGQOGRA-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.80
Rot. Bonds7

About [2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate

[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 2625469) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
PubChem CID2625469
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)CNC(=O)c2ccccc2)c1
InChIInChI=1S/C19H18N2O5/c1-13(22)15-8-5-9-16(10-15)21-17(23)12-26-18(24)11-20-19(25)14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,20,25)(H,21,23)
InChIKeyOARARBYBGQOGRA-UHFFFAOYSA-N
XLogP1.80
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304230
[2-(3-acetylanilino)-2-oxoethyl] propanoate
CID 7851353
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877443
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate
CID 4797469
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(3-cyanoanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921393
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625515
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 34394010
[2-(3-methylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 2389753

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate (CID 2625469) is [2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate is CC(=O)c1cccc(NC(=O)COC(=O)CNC(=O)c2ccccc2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is OARARBYBGQOGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-13(22)15-8-5-9-16(10-15)21-17(23)12-26-18(24)11-20-19(25)14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,20,25)(H,21,23).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate?
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 354.36 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 2625469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).