[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

C19H20N2O4 — CID 43817614

IUPAC[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)c1cc2occc2n1C)C(=O)NCCc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-13(18(22)20-10-8-14-6-4-3-5-7-14)25-19(23)16-12-17-15(21(16)2)9-11-24-17/h3-7,9,11-13H,8,10H2,1-2H3,(H,20,22)
InChIKeyPEBYRDAONVUEPI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.68
Rot. Bonds6

About [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 43817614) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID43817614
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)c1cc2occc2n1C)C(=O)NCCc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-13(18(22)20-10-8-14-6-4-3-5-7-14)25-19(23)16-12-17-15(21(16)2)9-11-24-17/h3-7,9,11-13H,8,10H2,1-2H3,(H,20,22)
InChIKeyPEBYRDAONVUEPI-UHFFFAOYSA-N
XLogP2.68
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-oxo-1-(2-phenylethylamino)propan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18103073
methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883388
[(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687847
[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687841
[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687840
[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687837
4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792567
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 55506945
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-methylthiophene-2-carboxylate
CID 46619711
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2H-chromene-3-carboxylate
CID 7441797
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 9310224

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 43817614) is [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is CC(OC(=O)c1cc2occc2n1C)C(=O)NCCc1ccccc1.
What is the InChIKey of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is PEBYRDAONVUEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(18(22)20-10-8-14-6-4-3-5-7-14)25-19(23)16-12-17-15(21(16)2)9-11-24-17/h3-7,9,11-13H,8,10H2,1-2H3,(H,20,22).
What are the key properties of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 43817614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).