3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide

C23H27N3O3 — CID 131952772

IUPAC3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)ccc1N1CCOCC1
InChIInChI=1S/C23H27N3O3/c1-16-14-18(5-7-20(16)25-10-12-29-13-11-25)23(28)24-19-6-8-21(17(2)15-19)26-9-3-4-22(26)27/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,28)
InChIKeyZPQTURBKBFSXBL-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.52
Rot. Bonds4

About 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide

3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide (PubChem CID 131952772) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide
PubChem CID131952772
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)ccc1N1CCOCC1
InChIInChI=1S/C23H27N3O3/c1-16-14-18(5-7-20(16)25-10-12-29-13-11-25)23(28)24-19-6-8-21(17(2)15-19)26-9-3-4-22(26)27/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,28)
InChIKeyZPQTURBKBFSXBL-UHFFFAOYSA-N
XLogP3.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
4-butyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24601128
2,5-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140184
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686588
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24613493
1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24613478
2-chloro-3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 131946801
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide (CID 131952772) is 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide is Cc1cc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)ccc1N1CCOCC1.
What is the InChIKey of 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide?
The InChIKey is ZPQTURBKBFSXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-14-18(5-7-20(16)25-10-12-29-13-11-25)23(28)24-19-6-8-21(17(2)15-19)26-9-3-4-22(26)27/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,28).
What are the key properties of 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide?
3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide has a molecular weight of 393.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 131952772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).