1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide

C23H28N2O4 — CID 55751538

IUPAC1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCCCCOc3ccc(C)cc3)CC2=O)c1
InChIInChI=1S/C23H28N2O4/c1-17-8-10-20(11-9-17)29-13-4-3-12-24-23(27)18-14-22(26)25(16-18)19-6-5-7-21(15-19)28-2/h5-11,15,18H,3-4,12-14,16H2,1-2H3,(H,24,27)
InChIKeyBKXLVLZILCGETK-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.33
Rot. Bonds9

About 1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55751538) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55751538
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCCCCOc3ccc(C)cc3)CC2=O)c1
InChIInChI=1S/C23H28N2O4/c1-17-8-10-20(11-9-17)29-13-4-3-12-24-23(27)18-14-22(26)25(16-18)19-6-5-7-21(15-19)28-2/h5-11,15,18H,3-4,12-14,16H2,1-2H3,(H,24,27)
InChIKeyBKXLVLZILCGETK-UHFFFAOYSA-N
XLogP3.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
(3R)-1-(3-methylphenyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 93017611
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
(3R)-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375419
3-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium
CID 9375428
1-(4-ethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46400008
1-(2-fluoro-4-methylphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751672
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51933605
(3R)-N-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376315
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
N-(3-cyclohexyloxypropyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556645

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide (CID 55751538) is 1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)NCCCCOc3ccc(C)cc3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BKXLVLZILCGETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17-8-10-20(11-9-17)29-13-4-3-12-24-23(27)18-14-22(26)25(16-18)19-6-5-7-21(15-19)28-2/h5-11,15,18H,3-4,12-14,16H2,1-2H3,(H,24,27).
What are the key properties of 1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55751538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).