2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide

C19H33N3O3 — CID 122174754

IUPAC2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC1CCC(NC(=O)C2(C)CCC(=O)N2CCN2CCOCC2)CC1
InChIInChI=1S/C19H33N3O3/c1-15-3-5-16(6-4-15)20-18(24)19(2)8-7-17(23)22(19)10-9-21-11-13-25-14-12-21/h15-16H,3-14H2,1-2H3,(H,20,24)
InChIKeyMAKACALJIBPWEY-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.39
Rot. Bonds5

About 2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide

2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 122174754) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID122174754
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC1CCC(NC(=O)C2(C)CCC(=O)N2CCN2CCOCC2)CC1
InChIInChI=1S/C19H33N3O3/c1-15-3-5-16(6-4-15)20-18(24)19(2)8-7-17(23)22(19)10-9-21-11-13-25-14-12-21/h15-16H,3-14H2,1-2H3,(H,20,24)
InChIKeyMAKACALJIBPWEY-UHFFFAOYSA-N
XLogP1.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide (CID 122174754) is 2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide is CC1CCC(NC(=O)C2(C)CCC(=O)N2CCN2CCOCC2)CC1.
What is the InChIKey of 2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MAKACALJIBPWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-15-3-5-16(6-4-15)20-18(24)19(2)8-7-17(23)22(19)10-9-21-11-13-25-14-12-21/h15-16H,3-14H2,1-2H3,(H,20,24).
What are the key properties of 2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 122174754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).