4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C19H27N3O3 — CID 3242767

IUPAC4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NCCCN2CCOCC2)cc1N1CCCC1=O
InChIInChI=1S/C19H27N3O3/c1-15-5-6-16(14-17(15)22-9-2-4-18(22)23)19(24)20-7-3-8-21-10-12-25-13-11-21/h5-6,14H,2-4,7-13H2,1H3,(H,20,24)
InChIKeyOLDSXEYZPZTVHI-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.57
Rot. Bonds6

About 4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide

4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3242767) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3242767
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NCCCN2CCOCC2)cc1N1CCCC1=O
InChIInChI=1S/C19H27N3O3/c1-15-5-6-16(14-17(15)22-9-2-4-18(22)23)19(24)20-7-3-8-21-10-12-25-13-11-21/h5-6,14H,2-4,7-13H2,1H3,(H,20,24)
InChIKeyOLDSXEYZPZTVHI-UHFFFAOYSA-N
XLogP1.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 3242767) is 4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(C(=O)NCCCN2CCOCC2)cc1N1CCCC1=O.
What is the InChIKey of 4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is OLDSXEYZPZTVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15-5-6-16(14-17(15)22-9-2-4-18(22)23)19(24)20-7-3-8-21-10-12-25-13-11-21/h5-6,14H,2-4,7-13H2,1H3,(H,20,24).
What are the key properties of 4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 345.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3242767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).