[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

C22H24N2O4 — CID 51687837

IUPAC[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)O[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc2occc21
InChIInChI=1S/C22H24N2O4/c1-24-17-12-13-27-19(17)14-18(24)22(26)28-20(15-8-4-2-5-9-15)21(25)23-16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16,20H,3,6-7,10-11H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyMHWAOJSUKVKXID-HXUWFJFHSA-N
MW380.44 g/mol
LogP4.12
Rot. Bonds5

About [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 51687837) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID51687837
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)O[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc2occc21
InChIInChI=1S/C22H24N2O4/c1-24-17-12-13-27-19(17)14-18(24)22(26)28-20(15-8-4-2-5-9-15)21(25)23-16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16,20H,3,6-7,10-11H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyMHWAOJSUKVKXID-HXUWFJFHSA-N
XLogP4.12
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 51687837) is [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is Cn1c(C(=O)O[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc2occc21.
What is the InChIKey of [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is MHWAOJSUKVKXID-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-24-17-12-13-27-19(17)14-18(24)22(26)28-20(15-8-4-2-5-9-15)21(25)23-16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16,20H,3,6-7,10-11H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 51687837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).