N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide

C19H24N4O4 — CID 156604350

IUPACN-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2ccoc2)CN1C(=O)CCn1cccc1
InChIInChI=1S/C19H24N4O4/c1-2-20-19(26)16-11-15(21-18(25)14-6-10-27-13-14)12-23(16)17(24)5-9-22-7-3-4-8-22/h3-4,6-8,10,13,15-16H,2,5,9,11-12H2,1H3,(H,20,26)(H,21,25)
InChIKeyZIEKSCHEMBPDCW-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.01
Rot. Bonds7

About N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide

N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 156604350) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID156604350
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2ccoc2)CN1C(=O)CCn1cccc1
InChIInChI=1S/C19H24N4O4/c1-2-20-19(26)16-11-15(21-18(25)14-6-10-27-13-14)12-23(16)17(24)5-9-22-7-3-4-8-22/h3-4,6-8,10,13,15-16H,2,5,9,11-12H2,1H3,(H,20,26)(H,21,25)
InChIKeyZIEKSCHEMBPDCW-UHFFFAOYSA-N
XLogP1.01
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide (CID 156604350) is N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide is CCNC(=O)C1CC(NC(=O)c2ccoc2)CN1C(=O)CCn1cccc1.
What is the InChIKey of N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is ZIEKSCHEMBPDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-20-19(26)16-11-15(21-18(25)14-6-10-27-13-14)12-23(16)17(24)5-9-22-7-3-4-8-22/h3-4,6-8,10,13,15-16H,2,5,9,11-12H2,1H3,(H,20,26)(H,21,25).
What are the key properties of N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide?
N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 156604350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).