2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide

C22H27N3O3 — CID 46441531

IUPAC2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESCN(C)C(=O)COc1ccccc1C(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C22H27N3O3/c1-24(2)21(26)16-28-20-11-7-6-10-19(20)22(27)23-14-17-12-13-25(15-17)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,27)
InChIKeyGUSNUIJOPUFLKB-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.41
Rot. Bonds7

About 2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide

2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 46441531) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
PubChem CID46441531
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESCN(C)C(=O)COc1ccccc1C(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C22H27N3O3/c1-24(2)21(26)16-28-20-11-7-6-10-19(20)22(27)23-14-17-12-13-25(15-17)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,27)
InChIKeyGUSNUIJOPUFLKB-UHFFFAOYSA-N
XLogP2.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 51125497
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55652389
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38442154
6-(dimethylamino)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 38441786
3-ethynyl-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 167781608
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55621618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (CID 46441531) is 2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is CN(C)C(=O)COc1ccccc1C(=O)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is GUSNUIJOPUFLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-24(2)21(26)16-28-20-11-7-6-10-19(20)22(27)23-14-17-12-13-25(15-17)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,27).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 46441531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).