1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

C18H25N3O3 — CID 2963140

IUPAC1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-14-2-4-16(5-3-14)21-13-15(12-17(21)22)18(23)19-6-7-20-8-10-24-11-9-20/h2-5,15H,6-13H2,1H3,(H,19,23)
InChIKeyUONCTRNBYRFKCM-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.80
Rot. Bonds5

About 1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2963140) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2963140
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-14-2-4-16(5-3-14)21-13-15(12-17(21)22)18(23)19-6-7-20-8-10-24-11-9-20/h2-5,15H,6-13H2,1H3,(H,19,23)
InChIKeyUONCTRNBYRFKCM-UHFFFAOYSA-N
XLogP0.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 2963140) is 1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCCN3CCOCC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UONCTRNBYRFKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14-2-4-16(5-3-14)21-13-15(12-17(21)22)18(23)19-6-7-20-8-10-24-11-9-20/h2-5,15H,6-13H2,1H3,(H,19,23).
What are the key properties of 1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2963140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).