(2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate

C19H19NO4 — CID 7227801

IUPAC(2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate
SMILESC[C@@H](CC(=O)OCC(=O)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-14(15-8-4-2-5-9-15)12-18(22)24-13-17(21)20-19(23)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,21,23)/t14-/m0/s1
InChIKeyCRVKWTJFPAZZSJ-AWEZNQCLSA-N
MW325.36 g/mol
LogP2.68
Rot. Bonds6

About (2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate

(2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate (PubChem CID 7227801) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate
PubChem CID7227801
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate
SMILESC[C@@H](CC(=O)OCC(=O)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-14(15-8-4-2-5-9-15)12-18(22)24-13-17(21)20-19(23)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,21,23)/t14-/m0/s1
InChIKeyCRVKWTJFPAZZSJ-AWEZNQCLSA-N
XLogP2.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
N-benzoyl-phenylalanine methyl ester
CID 569674
Phenacyl 3-benzamidopropanoate
CID 2556661
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
CID 3448368
[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
(2-Benzamido-2-oxoethyl) cyclobutanecarboxylate
CID 7717326
(2-Benzamido-2-oxoethyl) cyclopropanecarboxylate
CID 7863473
(2-Oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate
CID 24981310
2-(4-methylphenyl)-2-oxoethyl N-(4-methylbenzoyl)glycylglycinate
CID 1613147
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2358436
[2-(Benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2365335
[2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2429922

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate?
The IUPAC name of (2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate (CID 7227801) is (2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate is C[C@@H](CC(=O)OCC(=O)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate?
The InChIKey is CRVKWTJFPAZZSJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19NO4/c1-14(15-8-4-2-5-9-15)12-18(22)24-13-17(21)20-19(23)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,21,23)/t14-/m0/s1.
What are the key properties of (2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate?
(2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate has a molecular weight of 325.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate is sourced from PubChem (CID 7227801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).