(2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate

C19H20N2O4 — CID 43040537

IUPAC(2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate
SMILESCC(=O)NCCc1ccc(C(=O)OC(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-13(22)21-12-11-14-7-9-16(10-8-14)19(24)25-17(18(20)23)15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H2,20,23)(H,21,22)
InChIKeyHUTUHHJCIJHBSE-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.75
Rot. Bonds7

About (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate

(2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate (PubChem CID 43040537) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate
PubChem CID43040537
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate
SMILESCC(=O)NCCc1ccc(C(=O)OC(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-13(22)21-12-11-14-7-9-16(10-8-14)19(24)25-17(18(20)23)15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H2,20,23)(H,21,22)
InChIKeyHUTUHHJCIJHBSE-UHFFFAOYSA-N
XLogP1.75
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate
CID 27614893
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(acetamidomethyl)benzoate
CID 39967455
4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
CID 119038942
[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 30929559
methyl 4-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]benzoate
CID 119701393
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-(acetamidomethyl)benzoate
CID 18199550
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
(2R)-N-[2-(4-acetamidophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 95316508
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate
CID 42922412
(2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
CID 16593715
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3,3-diphenylpropanoate
CID 46817553
benzhydryl 4-[(carbamoylamino)methyl]benzoate
CID 51151702

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate (CID 43040537) is (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate is CC(=O)NCCc1ccc(C(=O)OC(C(N)=O)c2ccccc2)cc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate?
The InChIKey is HUTUHHJCIJHBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(22)21-12-11-14-7-9-16(10-8-14)19(24)25-17(18(20)23)15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate?
(2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate has a molecular weight of 340.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 4-(2-acetamidoethyl)benzoate is sourced from PubChem (CID 43040537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).