N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C17H18N2O4 — CID 78869179

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC(O)c1ccco1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H18N2O4/c20-14(15-3-2-10-23-15)11-18-17(22)12-5-7-13(8-6-12)19-9-1-4-16(19)21/h2-3,5-8,10,14,20H,1,4,9,11H2,(H,18,22)
InChIKeyKHJAUYXRSRUFAH-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.87
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 78869179) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID78869179
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC(O)c1ccco1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H18N2O4/c20-14(15-3-2-10-23-15)11-18-17(22)12-5-7-13(8-6-12)19-9-1-4-16(19)21/h2-3,5-8,10,14,20H,1,4,9,11H2,(H,18,22)
InChIKeyKHJAUYXRSRUFAH-UHFFFAOYSA-N
XLogP1.87
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 78869179) is N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCC(O)c1ccco1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is KHJAUYXRSRUFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-14(15-3-2-10-23-15)11-18-17(22)12-5-7-13(8-6-12)19-9-1-4-16(19)21/h2-3,5-8,10,14,20H,1,4,9,11H2,(H,18,22).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 314.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 78869179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).