1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C22H26N2O5 — CID 78798897

IUPAC1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2ccccc2O)CC2CCCO2)CN1Cc1ccco1
InChIInChI=1S/C22H26N2O5/c25-20-8-2-1-5-16(20)12-24(15-19-7-4-10-29-19)22(27)17-11-21(26)23(13-17)14-18-6-3-9-28-18/h1-3,5-6,8-9,17,19,25H,4,7,10-15H2
InChIKeyVSFOXZPUFUWOAQ-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.54
Rot. Bonds7

About 1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 78798897) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID78798897
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2ccccc2O)CC2CCCO2)CN1Cc1ccco1
InChIInChI=1S/C22H26N2O5/c25-20-8-2-1-5-16(20)12-24(15-19-7-4-10-29-19)22(27)17-11-21(26)23(13-17)14-18-6-3-9-28-18/h1-3,5-6,8-9,17,19,25H,4,7,10-15H2
InChIKeyVSFOXZPUFUWOAQ-UHFFFAOYSA-N
XLogP2.54
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94641042
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 112793621
N,1-bis(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78781697
2-[(4-chlorophenyl)methyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119193558
methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55514579
N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 75807645
(1R,5S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97236897
(3S)-N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94014797
(3S)-1-(furan-2-ylmethyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998484

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 78798897) is 1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)N(Cc2ccccc2O)CC2CCCO2)CN1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is VSFOXZPUFUWOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c25-20-8-2-1-5-16(20)12-24(15-19-7-4-10-29-19)22(27)17-11-21(26)23(13-17)14-18-6-3-9-28-18/h1-3,5-6,8-9,17,19,25H,4,7,10-15H2.
What are the key properties of 1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 78798897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).