N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C14H24N2O3 — CID 75461970

IUPACN-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCOC2CCCCC2)CC1=O
InChIInChI=1S/C14H24N2O3/c1-16-10-11(9-13(16)17)14(18)15-7-8-19-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyPDEDGIZENBFXEE-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 75461970) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID75461970
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCOC2CCCCC2)CC1=O
InChIInChI=1S/C14H24N2O3/c1-16-10-11(9-13(16)17)14(18)15-7-8-19-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyPDEDGIZENBFXEE-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 75461970) is N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCCOC2CCCCC2)CC1=O.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PDEDGIZENBFXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16-10-11(9-13(16)17)14(18)15-7-8-19-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75461970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).