1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H26N2O3 — CID 113186176

IUPAC1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-15-10-16(2)12-19(11-15)24-14-18(13-21(24)25)22(26)23-9-8-17-4-6-20(27-3)7-5-17/h4-7,10-12,18H,8-9,13-14H2,1-3H3,(H,23,26)
InChIKeyZTFNRADVUHLSKE-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.02
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113186176) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113186176
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-15-10-16(2)12-19(11-15)24-14-18(13-21(24)25)22(26)23-9-8-17-4-6-20(27-3)7-5-17/h4-7,10-12,18H,8-9,13-14H2,1-3H3,(H,23,26)
InChIKeyZTFNRADVUHLSKE-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17120911
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185970
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 40965916
1-(4-fluoro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46538945
1-(3,4-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186129
1-(3-methoxyphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 42652015
N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120668
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[2-(4-methoxyphenyl)ethyl]-1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 39353527
N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
1-(3,5-dimethylphenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17120915
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 113186176) is 1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CCNC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZTFNRADVUHLSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-10-16(2)12-19(11-15)24-14-18(13-21(24)25)22(26)23-9-8-17-4-6-20(27-3)7-5-17/h4-7,10-12,18H,8-9,13-14H2,1-3H3,(H,23,26).
What are the key properties of 1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113186176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).