N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide

C20H22N2O3 — CID 7548914

IUPACN-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)c3cccc(C)c3)CC2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-25-18-9-7-17(8-10-18)22-13-16(12-19(22)23)21-20(24)15-6-4-5-14(2)11-15/h4-11,16H,3,12-13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyJJNTZTAQXSELNO-INIZCTEOSA-N
MW338.41 g/mol
LogP2.93
Rot. Bonds5

About N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide

N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide (PubChem CID 7548914) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
PubChem CID7548914
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)c3cccc(C)c3)CC2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-25-18-9-7-17(8-10-18)22-13-16(12-19(22)23)21-20(24)15-6-4-5-14(2)11-15/h4-11,16H,3,12-13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyJJNTZTAQXSELNO-INIZCTEOSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 16822230
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 16822243
1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methylphenyl)urea
CID 7546263
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
CID 16822238
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 7255304
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547181

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide?
The IUPAC name of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide (CID 7548914) is N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide is CCOc1ccc(N2C[C@@H](NC(=O)c3cccc(C)c3)CC2=O)cc1.
What is the InChIKey of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide?
The InChIKey is JJNTZTAQXSELNO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-25-18-9-7-17(8-10-18)22-13-16(12-19(22)23)21-20(24)15-6-4-5-14(2)11-15/h4-11,16H,3,12-13H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide?
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide has a molecular weight of 338.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide is sourced from PubChem (CID 7548914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).