[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate

C20H22N2O4 — CID 2582560

IUPAC[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
SMILESCCNC(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-2-21-18(23)14-26-20(25)17(13-15-9-5-3-6-10-15)22-19(24)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyLBOGZWOEZAGMRN-QGZVFWFLSA-N
MW354.41 g/mol
LogP1.71
Rot. Bonds8

About [2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate

[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate (PubChem CID 2582560) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
PubChem CID2582560
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
SMILESCCNC(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-2-21-18(23)14-26-20(25)17(13-15-9-5-3-6-10-15)22-19(24)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyLBOGZWOEZAGMRN-QGZVFWFLSA-N
XLogP1.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582572
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 9491599
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2121472
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 7842645
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 3372467
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 8821195
[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 8821196
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582740
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 5185063
[2-(3,4-diethoxyanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 51478485
[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 4148550

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate (CID 2582560) is [2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate is CCNC(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The InChIKey is LBOGZWOEZAGMRN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-21-18(23)14-26-20(25)17(13-15-9-5-3-6-10-15)22-19(24)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,21,23)(H,22,24)/t17-/m1/s1.
What are the key properties of [2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate has a molecular weight of 354.41 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 2582560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).