[(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

C19H21NO5 — CID 27626332

IUPAC[(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccoc2C)cc1
InChIInChI=1S/C19H21NO5/c1-4-5-17(21)20-15-8-6-14(7-9-15)18(22)13(3)25-19(23)16-10-11-24-12(16)2/h6-11,13H,4-5H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyQJELISWFEYDFLH-ZDUSSCGKSA-N
MW343.38 g/mol
LogP3.75
Rot. Bonds7

About [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

[(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (PubChem CID 27626332) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
PubChem CID27626332
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccoc2C)cc1
InChIInChI=1S/C19H21NO5/c1-4-5-17(21)20-15-8-6-14(7-9-15)18(22)13(3)25-19(23)16-10-11-24-12(16)2/h6-11,13H,4-5H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyQJELISWFEYDFLH-ZDUSSCGKSA-N
XLogP3.75
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 18197418
[(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511460
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 8968580
[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 55385781
[2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7662936
[1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 1-phenylpyrazole-4-carboxylate
CID 43018051
[1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 16565917
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663147
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2-phenylacetyl)amino]benzoate
CID 1342655
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 882656
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-methylfuran-3-carboxylate
CID 8968505

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The IUPAC name of [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (CID 27626332) is [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccoc2C)cc1.
What is the InChIKey of [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The InChIKey is QJELISWFEYDFLH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-5-17(21)20-15-8-6-14(7-9-15)18(22)13(3)25-19(23)16-10-11-24-12(16)2/h6-11,13H,4-5H2,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
[(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 27626332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).