4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide

C20H22N2O3 — CID 167987352

IUPAC4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
SMILESCc1ccc(C2CCN(C(=O)COc3ccc(C(N)=O)cc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-2-4-15(5-3-14)17-10-11-22(12-17)19(23)13-25-18-8-6-16(7-9-18)20(21)24/h2-9,17H,10-13H2,1H3,(H2,21,24)
InChIKeySUUAXVDBSTWCEN-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.49
Rot. Bonds5

About 4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide

4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 167987352) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
PubChem CID167987352
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
SMILESCc1ccc(C2CCN(C(=O)COc3ccc(C(N)=O)cc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-2-4-15(5-3-14)17-10-11-22(12-17)19(23)13-25-18-8-6-16(7-9-18)20(21)24/h2-9,17H,10-13H2,1H3,(H2,21,24)
InChIKeySUUAXVDBSTWCEN-UHFFFAOYSA-N
XLogP2.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 121146535
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone;hydrochloride
CID 119483775
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604
4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide
CID 95383166
4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
CID 119396958
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
4-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethoxy]benzamide
CID 94796760
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110423701
cyclopropylbenzene;4-[2-(4-formylpiperazin-1-yl)-2-oxoethoxy]benzamide
CID 164556681
N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 146132314

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide (CID 167987352) is 4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide is Cc1ccc(C2CCN(C(=O)COc3ccc(C(N)=O)cc3)C2)cc1.
What is the InChIKey of 4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is SUUAXVDBSTWCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-2-4-15(5-3-14)17-10-11-22(12-17)19(23)13-25-18-8-6-16(7-9-18)20(21)24/h2-9,17H,10-13H2,1H3,(H2,21,24).
What are the key properties of 4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide?
4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 167987352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).