1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C23H28N2O5 — CID 46410541

IUPAC1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1OC
InChIInChI=1S/C23H28N2O5/c1-4-11-30-20-10-5-16(12-21(20)29-3)14-24-23(27)17-13-22(26)25(15-17)18-6-8-19(28-2)9-7-18/h5-10,12,17H,4,11,13-15H2,1-3H3,(H,24,27)
InChIKeyYNDYTSKWPAJPIH-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.16
Rot. Bonds9

About 1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46410541) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46410541
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1OC
InChIInChI=1S/C23H28N2O5/c1-4-11-30-20-10-5-16(12-21(20)29-3)14-24-23(27)17-13-22(26)25(15-17)18-6-8-19(28-2)9-7-18/h5-10,12,17H,4,11,13-15H2,1-3H3,(H,24,27)
InChIKeyYNDYTSKWPAJPIH-UHFFFAOYSA-N
XLogP3.16
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187460
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
(3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 40979373
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 15991912
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-(4-ethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 46466608
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46921260
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
N-[[4-(butanoylamino)phenyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55781741
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800538

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 46410541) is 1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1OC.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YNDYTSKWPAJPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-11-30-20-10-5-16(12-21(20)29-3)14-24-23(27)17-13-22(26)25(15-17)18-6-8-19(28-2)9-7-18/h5-10,12,17H,4,11,13-15H2,1-3H3,(H,24,27).
What are the key properties of 1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46410541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).