[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

C21H26N2O5 — CID 9492394

IUPAC[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESC[C@H](NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccco1
InChIInChI=1S/C21H26N2O5/c1-14(17-6-5-11-27-17)23-18(24)13-28-19(25)12-22-20(26)15-7-9-16(10-8-15)21(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,22,26)(H,23,24)/t14-/m0/s1
InChIKeyFESHYABMHUVKDY-AWEZNQCLSA-N
MW386.45 g/mol
LogP2.73
Rot. Bonds7

About [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (PubChem CID 9492394) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
PubChem CID9492394
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESC[C@H](NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccco1
InChIInChI=1S/C21H26N2O5/c1-14(17-6-5-11-27-17)23-18(24)13-28-19(25)12-22-20(26)15-7-9-16(10-8-15)21(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,22,26)(H,23,24)/t14-/m0/s1
InChIKeyFESHYABMHUVKDY-AWEZNQCLSA-N
XLogP2.73
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920438
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 18280210
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 7880281
4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide
CID 134029320
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492401
N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9481826
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 24671340
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 9201966
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920532
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884920

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The IUPAC name of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (CID 9492394) is [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.
What is the SMILES notation for [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The canonical SMILES for [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is C[C@H](NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccco1.
What is the InChIKey of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The InChIKey is FESHYABMHUVKDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14(17-6-5-11-27-17)23-18(24)13-28-19(25)12-22-20(26)15-7-9-16(10-8-15)21(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,22,26)(H,23,24)/t14-/m0/s1.
What are the key properties of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate has a molecular weight of 386.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is sourced from PubChem (CID 9492394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).