3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide

C21H24N2O6 — CID 7548122

IUPAC3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cccc(N2C[C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2=O)c1
InChIInChI=1S/C21H24N2O6/c1-26-16-7-5-6-15(11-16)23-12-14(10-19(23)24)22-21(25)13-8-17(27-2)20(29-4)18(9-13)28-3/h5-9,11,14H,10,12H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeyJTQPMKMBKKXTSA-AWEZNQCLSA-N
MW400.43 g/mol
LogP2.26
Rot. Bonds7

About 3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide

3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 7548122) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID7548122
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cccc(N2C[C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2=O)c1
InChIInChI=1S/C21H24N2O6/c1-26-16-7-5-6-15(11-16)23-12-14(10-19(23)24)22-21(25)13-8-17(27-2)20(29-4)18(9-13)28-3/h5-9,11,14H,10,12H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeyJTQPMKMBKKXTSA-AWEZNQCLSA-N
XLogP2.26
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970933
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070
3-chloro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548145
3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548178
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 7563379
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-propan-2-yloxybenzamide
CID 7548095
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7548189
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 7255153
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 7548122) is 3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is COc1cccc(N2C[C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2=O)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is JTQPMKMBKKXTSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-26-16-7-5-6-15(11-16)23-12-14(10-19(23)24)22-21(25)13-8-17(27-2)20(29-4)18(9-13)28-3/h5-9,11,14H,10,12H2,1-4H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 400.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7548122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).