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

C19H27N3O3 — CID 3237287

IUPAC1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-15-2-4-16(5-3-15)14-22-17(6-7-18(22)23)19(24)20-8-9-21-10-12-25-13-11-21/h2-5,17H,6-14H2,1H3,(H,20,24)
InChIKeyADBNNOPIZAVXEP-UHFFFAOYSA-N
MW345.44 g/mol
LogP0.93
Rot. Bonds6

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

1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 3237287) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID3237287
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-15-2-4-16(5-3-15)14-22-17(6-7-18(22)23)19(24)20-8-9-21-10-12-25-13-11-21/h2-5,17H,6-14H2,1H3,(H,20,24)
InChIKeyADBNNOPIZAVXEP-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide (CID 3237287) is 1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CCC2C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ADBNNOPIZAVXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15-2-4-16(5-3-15)14-22-17(6-7-18(22)23)19(24)20-8-9-21-10-12-25-13-11-21/h2-5,17H,6-14H2,1H3,(H,20,24).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3237287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).