[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate

C25H24N2O4 — CID 8821195

IUPAC[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
SMILESCc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-18-10-8-9-15-21(18)26-23(28)17-31-25(30)22(16-19-11-4-2-5-12-19)27-24(29)20-13-6-3-7-14-20/h2-15,22H,16-17H2,1H3,(H,26,28)(H,27,29)/t22-/m0/s1
InChIKeyUDYJJLLYJMKYFR-QFIPXVFZSA-N
MW416.48 g/mol
LogP3.52
Rot. Bonds8

About [2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate

[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate (PubChem CID 8821195) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
PubChem CID8821195
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
SMILESCc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-18-10-8-9-15-21(18)26-23(28)17-31-25(30)22(16-19-11-4-2-5-12-19)27-24(29)20-13-6-3-7-14-20/h2-15,22H,16-17H2,1H3,(H,26,28)(H,27,29)/t22-/m0/s1
InChIKeyUDYJJLLYJMKYFR-QFIPXVFZSA-N
XLogP3.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 8821196
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-(2-methylanilino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 2607431
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2121472
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582572
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 7842645
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 9491599
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 16596743
[2-(3,4-diethoxyanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 51478485
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 39968914
[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 4148550

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate (CID 8821195) is [2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate is Cc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
The InChIKey is UDYJJLLYJMKYFR-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-18-10-8-9-15-21(18)26-23(28)17-31-25(30)22(16-19-11-4-2-5-12-19)27-24(29)20-13-6-3-7-14-20/h2-15,22H,16-17H2,1H3,(H,26,28)(H,27,29)/t22-/m0/s1.
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate has a molecular weight of 416.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 8821195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).