N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide

C20H22N2O3 — CID 134033098

IUPACN,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-21(2)20(24)18-12-7-13-22(18)19(23)15-8-6-11-17(14-15)25-16-9-4-3-5-10-16/h3-6,8-11,14,18H,7,12-13H2,1-2H3
InChIKeyAZRNRJAJBRVOCR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.17
Rot. Bonds4

About N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide

N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 134033098) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID134033098
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-21(2)20(24)18-12-7-13-22(18)19(23)15-8-6-11-17(14-15)25-16-9-4-3-5-10-16/h3-6,8-11,14,18H,7,12-13H2,1-2H3
InChIKeyAZRNRJAJBRVOCR-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922398
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60710234
1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299
(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119366265

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide (CID 134033098) is N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is AZRNRJAJBRVOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21(2)20(24)18-12-7-13-22(18)19(23)15-8-6-11-17(14-15)25-16-9-4-3-5-10-16/h3-6,8-11,14,18H,7,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide?
N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134033098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).