(3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

C22H26N2O4 — CID 40979373

IUPAC(3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3OC)CC2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-3-12-28-19-10-8-18(9-11-19)24-15-17(13-21(24)25)22(26)23-14-16-6-4-5-7-20(16)27-2/h4-11,17H,3,12-15H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyUIRNNTPDZBTVMV-QGZVFWFLSA-N
MW382.46 g/mol
LogP3.15
Rot. Bonds8

About (3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

(3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 40979373) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID40979373
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3OC)CC2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-3-12-28-19-10-8-18(9-11-19)24-15-17(13-21(24)25)22(26)23-14-16-6-4-5-7-20(16)27-2/h4-11,17H,3,12-15H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyUIRNNTPDZBTVMV-QGZVFWFLSA-N
XLogP3.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2889210
(3S)-1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1372393
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113189741
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46410541
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134023238
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide
CID 95165446
methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
CID 10446211
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46586700

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (CID 40979373) is (3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is CCCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3OC)CC2=O)cc1.
What is the InChIKey of (3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is UIRNNTPDZBTVMV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-12-28-19-10-8-18(9-11-19)24-15-17(13-21(24)25)22(26)23-14-16-6-4-5-7-20(16)27-2/h4-11,17H,3,12-15H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of (3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
(3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 40979373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).