1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C26H32N2O6 — CID 46466608

IUPAC1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)NCc3ccc(OCC4CCCO4)c(OC)c3)CC2=O)cc1
InChIInChI=1S/C26H32N2O6/c1-3-32-21-9-7-20(8-10-21)28-16-19(14-25(28)29)26(30)27-15-18-6-11-23(24(13-18)31-2)34-17-22-5-4-12-33-22/h6-11,13,19,22H,3-5,12,14-17H2,1-2H3,(H,27,30)
InChIKeyJNNSWNVAMDBHNQ-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.32
Rot. Bonds10

About 1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46466608) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46466608
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)NCc3ccc(OCC4CCCO4)c(OC)c3)CC2=O)cc1
InChIInChI=1S/C26H32N2O6/c1-3-32-21-9-7-20(8-10-21)28-16-19(14-25(28)29)26(30)27-15-18-6-11-23(24(13-18)31-2)34-17-22-5-4-12-33-22/h6-11,13,19,22H,3-5,12,14-17H2,1-2H3,(H,27,30)
InChIKeyJNNSWNVAMDBHNQ-UHFFFAOYSA-N
XLogP3.32
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46410541
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187460
5-oxo-1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 54792469
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18077686
3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55708296
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55660487
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780
1-[(3,4-dimethoxyphenyl)methyl]-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913085
(3R)-1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126160735
1-(4-ethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46400008
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 84995148

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 46466608) is 1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)NCc3ccc(OCC4CCCO4)c(OC)c3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JNNSWNVAMDBHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-3-32-21-9-7-20(8-10-21)28-16-19(14-25(28)29)26(30)27-15-18-6-11-23(24(13-18)31-2)34-17-22-5-4-12-33-22/h6-11,13,19,22H,3-5,12,14-17H2,1-2H3,(H,27,30).
What are the key properties of 1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46466608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).