N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H27N3O3 — CID 113189983

IUPACN-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CC(=O)N(c3ccccc3N3CCOCC3)C2)c1
InChIInChI=1S/C23H27N3O3/c1-17-5-4-6-18(13-17)15-24-23(28)19-14-22(27)26(16-19)21-8-3-2-7-20(21)25-9-11-29-12-10-25/h2-8,13,19H,9-12,14-16H2,1H3,(H,24,28)
InChIKeyJBGKBTBELWJQFX-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.50
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113189983) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113189983
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CC(=O)N(c3ccccc3N3CCOCC3)C2)c1
InChIInChI=1S/C23H27N3O3/c1-17-5-4-6-18(13-17)15-24-23(28)19-14-22(27)26(16-19)21-8-3-2-7-20(21)25-9-11-29-12-10-25/h2-8,13,19H,9-12,14-16H2,1H3,(H,24,28)
InChIKeyJBGKBTBELWJQFX-UHFFFAOYSA-N
XLogP2.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191341
1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191727
1-(2,6-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191238
(3S)-1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 33278455
1-(2-morpholin-4-ylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113189989
2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135405
methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50878785
1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113189959
(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727160
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120643

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113189983) is N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(CNC(=O)C2CC(=O)N(c3ccccc3N3CCOCC3)C2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JBGKBTBELWJQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-5-4-6-18(13-17)15-24-23(28)19-14-22(27)26(16-19)21-8-3-2-7-20(21)25-9-11-29-12-10-25/h2-8,13,19H,9-12,14-16H2,1H3,(H,24,28).
What are the key properties of N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113189983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).