N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H24N2O5 — CID 42947082

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCc3cc(OC)ccc3OC)CC2=O)c1
InChIInChI=1S/C21H24N2O5/c1-26-17-6-4-5-16(11-17)23-13-15(10-20(23)24)21(25)22-12-14-9-18(27-2)7-8-19(14)28-3/h4-9,11,15H,10,12-13H2,1-3H3,(H,22,25)
InChIKeyYOEFFMSSDYFWDD-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.38
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42947082) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42947082
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCc3cc(OC)ccc3OC)CC2=O)c1
InChIInChI=1S/C21H24N2O5/c1-26-17-6-4-5-16(11-17)23-13-15(10-20(23)24)21(25)22-12-14-9-18(27-2)7-8-19(14)28-3/h4-9,11,15H,10,12-13H2,1-3H3,(H,22,25)
InChIKeyYOEFFMSSDYFWDD-UHFFFAOYSA-N
XLogP2.38
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42947082) is N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)NCc3cc(OC)ccc3OC)CC2=O)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YOEFFMSSDYFWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-17-6-4-5-16(11-17)23-13-15(10-20(23)24)21(25)22-12-14-9-18(27-2)7-8-19(14)28-3/h4-9,11,15H,10,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42947082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).