[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate

C21H24N2O4 — CID 8753112

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-4-16-12-8-9-14(2)19(16)23-18(24)13-27-21(26)15(3)22-20(25)17-10-6-5-7-11-17/h5-12,15H,4,13H2,1-3H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChIKeyFJNNZUHEYFGHBC-HNNXBMFYSA-N
MW368.43 g/mol
LogP2.86
Rot. Bonds7

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate (PubChem CID 8753112) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
PubChem CID8753112
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-4-16-12-8-9-14(2)19(16)23-18(24)13-27-21(26)15(3)22-20(25)17-10-6-5-7-11-17/h5-12,15H,4,13H2,1-3H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChIKeyFJNNZUHEYFGHBC-HNNXBMFYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 7570965
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 7951784
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2389381
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 16565506
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2594012
[2-(4-bromoanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593861
propyl 2-benzamidopropanoate
CID 71628004
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8557408
3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833789
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754721
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate (CID 8753112) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate is CCc1cccc(C)c1NC(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The InChIKey is FJNNZUHEYFGHBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-16-12-8-9-14(2)19(16)23-18(24)13-27-21(26)15(3)22-20(25)17-10-6-5-7-11-17/h5-12,15H,4,13H2,1-3H3,(H,22,25)(H,23,24)/t15-/m0/s1.
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate has a molecular weight of 368.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate is sourced from PubChem (CID 8753112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).