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

C19H22N2O4 — CID 43011936

IUPAC1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(OCCNC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C19H22N2O4/c1-14-4-6-16(7-5-14)25-10-8-20-19(23)15-11-18(22)21(12-15)13-17-3-2-9-24-17/h2-7,9,15H,8,10-13H2,1H3,(H,20,23)
InChIKeyRZOPYJVDCVNKSA-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.13
Rot. Bonds7

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

1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43011936) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43011936
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(OCCNC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C19H22N2O4/c1-14-4-6-16(7-5-14)25-10-8-20-19(23)15-11-18(22)21(12-15)13-17-3-2-9-24-17/h2-7,9,15H,8,10-13H2,1H3,(H,20,23)
InChIKeyRZOPYJVDCVNKSA-UHFFFAOYSA-N
XLogP2.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751444
ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
CID 78800071
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42908533
(3R)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968722
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
1-(furan-2-ylmethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 42881863
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4780242
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094042
(3R)-1-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 94097464
1-(furan-2-ylmethyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 42653905

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 43011936) is 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(OCCNC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RZOPYJVDCVNKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14-4-6-16(7-5-14)25-10-8-20-19(23)15-11-18(22)21(12-15)13-17-3-2-9-24-17/h2-7,9,15H,8,10-13H2,1H3,(H,20,23).
What are the key properties of 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43011936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).