N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C22H26N2O3 — CID 113188418

IUPACN-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C22H26N2O3/c1-14(2)27-19-10-8-18(9-11-19)24-13-17(12-20(24)25)22(26)23-21-15(3)6-5-7-16(21)4/h5-11,14,17H,12-13H2,1-4H3,(H,23,26)
InChIKeyAKZLRUVZKDYTLE-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.08
Rot. Bonds5

About N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113188418) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113188418
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C22H26N2O3/c1-14(2)27-19-10-8-18(9-11-19)24-13-17(12-20(24)25)22(26)23-21-15(3)6-5-7-16(21)4/h5-11,14,17H,12-13H2,1-4H3,(H,23,26)
InChIKeyAKZLRUVZKDYTLE-UHFFFAOYSA-N
XLogP4.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7324231
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46634969
(3R)-1-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7393881
1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113186155
(3R)-N-(2-bromophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7323830
(3S)-N-(3-fluoro-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124528877
N-(4-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 579116
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 3152279
(3R)-N-(2,6-dimethylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005185
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
(3S)-N-(1,3-benzothiazol-2-yl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 1088288

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 113188418) is N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is Cc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccc(OC(C)C)cc2)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is AKZLRUVZKDYTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14(2)27-19-10-8-18(9-11-19)24-13-17(12-20(24)25)22(26)23-21-15(3)6-5-7-16(21)4/h5-11,14,17H,12-13H2,1-4H3,(H,23,26).
What are the key properties of N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113188418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).