[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

C20H24N2O5 — CID 46791748

IUPAC[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESCC(OC(=O)CNC(=O)c1ccco1)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O5/c1-13(27-17(23)12-21-19(25)16-6-5-11-26-16)18(24)22-15-9-7-14(8-10-15)20(2,3)4/h5-11,13H,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyVWASPGTXSWHFOT-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.88
Rot. Bonds6

About [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (PubChem CID 46791748) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
PubChem CID46791748
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESCC(OC(=O)CNC(=O)c1ccco1)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O5/c1-13(27-17(23)12-21-19(25)16-6-5-11-26-16)18(24)22-15-9-7-14(8-10-15)20(2,3)4/h5-11,13H,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyVWASPGTXSWHFOT-UHFFFAOYSA-N
XLogP2.88
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879966
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920281
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42970594
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791458
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908958
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7709194
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7709193
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879875
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920628
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 9309933
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7909111
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879838

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (CID 46791748) is [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is CC(OC(=O)CNC(=O)c1ccco1)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is VWASPGTXSWHFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(27-17(23)12-21-19(25)16-6-5-11-26-16)18(24)22-15-9-7-14(8-10-15)20(2,3)4/h5-11,13H,12H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 372.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 46791748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).