N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

C20H22N2O3 — CID 95301942

IUPACN-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc([C@@H]2CCN(C(=O)CNC(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-25-18-9-7-15(8-10-18)17-11-12-22(14-17)19(23)13-21-20(24)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyDBMHYNGYMYYIRS-QGZVFWFLSA-N
MW338.41 g/mol
LogP2.44
Rot. Bonds5

About N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 95301942) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
PubChem CID95301942
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc([C@@H]2CCN(C(=O)CNC(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-25-18-9-7-15(8-10-18)17-11-12-22(14-17)19(23)13-21-20(24)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyDBMHYNGYMYYIRS-QGZVFWFLSA-N
XLogP2.44
TPSA58.64 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95351155
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide
CID 121147120
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845
3-(4-methoxyphenyl)-N'-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111731081
N-[3-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]propyl]benzamide
CID 111732161
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 69029208
3-(4-methoxyphenyl)-N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142828
methyl 4-[[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]carbamoyl]benzoate
CID 59764913
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111722878
N-ethyl-3-[[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide
CID 111732059

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (CID 95301942) is N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is COc1ccc([C@@H]2CCN(C(=O)CNC(=O)c3ccccc3)C2)cc1.
What is the InChIKey of N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is DBMHYNGYMYYIRS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-18-9-7-15(8-10-18)17-11-12-22(14-17)19(23)13-21-20(24)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 95301942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).