[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate

C19H22N2O5 — CID 7570965

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)[C@H](C)NC(=O)c1ccco1
InChIInChI=1S/C19H22N2O5/c1-4-14-8-5-7-12(2)17(14)21-16(22)11-26-19(24)13(3)20-18(23)15-9-6-10-25-15/h5-10,13H,4,11H2,1-3H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyVHWRXISKFDKEGW-ZDUSSCGKSA-N
MW358.39 g/mol
LogP2.45
Rot. Bonds7

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate (PubChem CID 7570965) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
PubChem CID7570965
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)[C@H](C)NC(=O)c1ccco1
InChIInChI=1S/C19H22N2O5/c1-4-14-8-5-7-12(2)17(14)21-16(22)11-26-19(24)13(3)20-18(23)15-9-6-10-25-15/h5-10,13H,4,11H2,1-3H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyVHWRXISKFDKEGW-ZDUSSCGKSA-N
XLogP2.45
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 8753112
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 7571064
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2110544
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2627097
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8847052
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-(2,6-dichloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575621
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 7570973
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002051
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 18194371
N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113046884
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8557408

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate (CID 7570965) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate is CCc1cccc(C)c1NC(=O)COC(=O)[C@H](C)NC(=O)c1ccco1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is VHWRXISKFDKEGW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-4-14-8-5-7-12(2)17(14)21-16(22)11-26-19(24)13(3)20-18(23)15-9-6-10-25-15/h5-10,13H,4,11H2,1-3H3,(H,20,23)(H,21,22)/t13-/m0/s1.
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 358.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 7570965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).