[2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate

C18H18N2O4 — CID 2429104

IUPAC[2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O4/c1-13(21)20-16-9-7-15(8-10-16)18(23)24-12-17(22)19-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyOGWAHCXCDBVJAJ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.12
Rot. Bonds6

About [2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate

[2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 2429104) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate
PubChem CID2429104
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O4/c1-13(21)20-16-9-7-15(8-10-16)18(23)24-12-17(22)19-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyOGWAHCXCDBVJAJ-UHFFFAOYSA-N
XLogP2.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4914
Benzonatate
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Tetracaine Hydrochloride
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Ethyl 4-((2-(1-piperidinyl)acetyl)amino)benzoate
CID 3300
Deanol Acetamidobenzoate
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Ferrostatin-1
CID 4068248
Ethyl 4-(benzoylamino)benzoate
CID 12914
Leucinocaine
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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate (CID 2429104) is [2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is OGWAHCXCDBVJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-13(21)20-16-9-7-15(8-10-16)18(23)24-12-17(22)19-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate?
[2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 326.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 2429104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).