N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide

C21H24N2O5 — CID 7548967

IUPACN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide
SMILESCCOc1ccc(N2C[C@H](NC(=O)c3ccc(OC)cc3OC)CC2=O)cc1
InChIInChI=1S/C21H24N2O5/c1-4-28-16-7-5-15(6-8-16)23-13-14(11-20(23)24)22-21(25)18-10-9-17(26-2)12-19(18)27-3/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,25)/t14-/m1/s1
InChIKeyOJTOIPHZOXINIB-CQSZACIVSA-N
MW384.43 g/mol
LogP2.64
Rot. Bonds7

About N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide

N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide (PubChem CID 7548967) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide
PubChem CID7548967
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide
SMILESCCOc1ccc(N2C[C@H](NC(=O)c3ccc(OC)cc3OC)CC2=O)cc1
InChIInChI=1S/C21H24N2O5/c1-4-28-16-7-5-15(6-8-16)23-13-14(11-20(23)24)22-21(25)18-10-9-17(26-2)12-19(18)27-3/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,25)/t14-/m1/s1
InChIKeyOJTOIPHZOXINIB-CQSZACIVSA-N
XLogP2.64
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7549059
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546480
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
5-chloro-2-methoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548591
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 43969973
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide (CID 7548967) is N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide is CCOc1ccc(N2C[C@H](NC(=O)c3ccc(OC)cc3OC)CC2=O)cc1.
What is the InChIKey of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide?
The InChIKey is OJTOIPHZOXINIB-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-28-16-7-5-15(6-8-16)23-13-14(11-20(23)24)22-21(25)18-10-9-17(26-2)12-19(18)27-3/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,25)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide?
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide has a molecular weight of 384.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 7548967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).