[2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate

C20H22N2O4 — CID 3448368

IUPAC[2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C20H22N2O4/c23-18(21-13-7-10-16-8-3-1-4-9-16)15-26-19(24)14-22-20(25)17-11-5-2-6-12-17/h1-6,8-9,11-12H,7,10,13-15H2,(H,21,23)(H,22,25)
InChIKeyDYKROVXSHRFURX-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.71
Rot. Bonds9

About [2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate

[2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate (PubChem CID 3448368) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
PubChem CID3448368
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C20H22N2O4/c23-18(21-13-7-10-16-8-3-1-4-9-16)15-26-19(24)14-22-20(25)17-11-5-2-6-12-17/h1-6,8-9,11-12H,7,10,13-15H2,(H,21,23)(H,22,25)
InChIKeyDYKROVXSHRFURX-UHFFFAOYSA-N
XLogP1.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate?
The IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate (CID 3448368) is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate?
The canonical SMILES for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate is O=C(COC(=O)CNC(=O)c1ccccc1)NCCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate?
The InChIKey is DYKROVXSHRFURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-18(21-13-7-10-16-8-3-1-4-9-16)15-26-19(24)14-22-20(25)17-11-5-2-6-12-17/h1-6,8-9,11-12H,7,10,13-15H2,(H,21,23)(H,22,25).
What are the key properties of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate?
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate has a molecular weight of 354.41 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate is sourced from PubChem (CID 3448368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).