N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C19H22N2O3 — CID 3242986

IUPACN-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCc3ccco3)CC2=O)cc1
InChIInChI=1S/C19H22N2O3/c1-14-4-6-15(7-5-14)8-9-21-13-16(11-18(21)22)19(23)20-12-17-3-2-10-24-17/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,23)
InChIKeyHNWKDCGJMZORAO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.30
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3242986) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3242986
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCc3ccco3)CC2=O)cc1
InChIInChI=1S/C19H22N2O3/c1-14-4-6-15(7-5-14)8-9-21-13-16(11-18(21)22)19(23)20-12-17-3-2-10-24-17/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,23)
InChIKeyHNWKDCGJMZORAO-UHFFFAOYSA-N
XLogP2.30
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 3242986) is N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CCN2CC(C(=O)NCc3ccco3)CC2=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HNWKDCGJMZORAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-4-6-15(7-5-14)8-9-21-13-16(11-18(21)22)19(23)20-12-17-3-2-10-24-17/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3242986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).