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

C20H29N3O3 — CID 3243674

IUPAC1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCCN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-16-2-4-17(5-3-16)6-8-23-15-18(14-19(23)24)20(25)21-7-9-22-10-12-26-13-11-22/h2-5,18H,6-15H2,1H3,(H,21,25)
InChIKeyLTXBUFVNCUTNQQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.83
Rot. Bonds7

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

1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3243674) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3243674
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCCN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-16-2-4-17(5-3-16)6-8-23-15-18(14-19(23)24)20(25)21-7-9-22-10-12-26-13-11-22/h2-5,18H,6-15H2,1H3,(H,21,25)
InChIKeyLTXBUFVNCUTNQQ-UHFFFAOYSA-N
XLogP0.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 3243674) is 1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CCN2CC(C(=O)NCCN3CCOCC3)CC2=O)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LTXBUFVNCUTNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16-2-4-17(5-3-16)6-8-23-15-18(14-19(23)24)20(25)21-7-9-22-10-12-26-13-11-22/h2-5,18H,6-15H2,1H3,(H,21,25).
What are the key properties of 1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3243674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).