(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide

C26H26N2O3 — CID 987488

IUPAC(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCc4ccccc4)cc3)C2)cc1C
InChIInChI=1S/C26H26N2O3/c1-18-8-9-22(14-19(18)2)27-26(30)21-15-25(29)28(16-21)23-10-12-24(13-11-23)31-17-20-6-4-3-5-7-20/h3-14,21H,15-17H2,1-2H3,(H,27,30)/t21-/m1/s1
InChIKeyUZHBSIWPLAGFGW-OAQYLSRUSA-N
MW414.51 g/mol
LogP4.87
Rot. Bonds6

About (3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide

(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 987488) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is (3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID987488
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCc4ccccc4)cc3)C2)cc1C
InChIInChI=1S/C26H26N2O3/c1-18-8-9-22(14-19(18)2)27-26(30)21-15-25(29)28(16-21)23-10-12-24(13-11-23)31-17-20-6-4-3-5-7-20/h3-14,21H,15-17H2,1-2H3,(H,27,30)/t21-/m1/s1
InChIKeyUZHBSIWPLAGFGW-OAQYLSRUSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080898
5-oxo-1-phenyl-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080562
(3S)-N-benzyl-1-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124585638
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1330971
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 1088301
(3S)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018282
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 126171787
N-cyclohexyl-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190121

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide (CID 987488) is (3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCc4ccccc4)cc3)C2)cc1C.
What is the InChIKey of (3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is UZHBSIWPLAGFGW-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-18-8-9-22(14-19(18)2)27-26(30)21-15-25(29)28(16-21)23-10-12-24(13-11-23)31-17-20-6-4-3-5-7-20/h3-14,21H,15-17H2,1-2H3,(H,27,30)/t21-/m1/s1.
What are the key properties of (3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 987488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).