N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C25H26N2O5 — CID 55806816

IUPACN-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2cccc(COCc3ccco3)c2)CC1=O
InChIInChI=1S/C25H26N2O5/c1-17-8-9-23(30-2)22(11-17)27-14-19(13-24(27)28)25(29)26-20-6-3-5-18(12-20)15-31-16-21-7-4-10-32-21/h3-12,19H,13-16H2,1-2H3,(H,26,29)
InChIKeyVSDPIQZVFDNGAD-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.31
Rot. Bonds8

About N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55806816) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55806816
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2cccc(COCc3ccco3)c2)CC1=O
InChIInChI=1S/C25H26N2O5/c1-17-8-9-23(30-2)22(11-17)27-14-19(13-24(27)28)25(29)26-20-6-3-5-18(12-20)15-31-16-21-7-4-10-32-21/h3-12,19H,13-16H2,1-2H3,(H,26,29)
InChIKeyVSDPIQZVFDNGAD-UHFFFAOYSA-N
XLogP4.31
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55597121
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 55765863
1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 43056031
(3S)-1-(2-methoxy-5-methylphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94179751
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55798283
1-(2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43025512
1-(furan-2-ylmethyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2998321
(3S)-N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 95090657
1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 60520234
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55806816) is N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)Nc2cccc(COCc3ccco3)c2)CC1=O.
What is the InChIKey of N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VSDPIQZVFDNGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-17-8-9-23(30-2)22(11-17)27-14-19(13-24(27)28)25(29)26-20-6-3-5-18(12-20)15-31-16-21-7-4-10-32-21/h3-12,19H,13-16H2,1-2H3,(H,26,29).
What are the key properties of N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55806816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).