1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

C15H26N2O3 — CID 4247765

IUPAC1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-20-9-5-8-16-15(19)12-10-14(18)17(11-12)13-6-3-2-4-7-13/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyBCPIPXUVXCMZMH-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds6

About 1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4247765) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4247765
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-20-9-5-8-16-15(19)12-10-14(18)17(11-12)13-6-3-2-4-7-13/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyBCPIPXUVXCMZMH-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
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 1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 4247765) is 1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is COCCCNC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BCPIPXUVXCMZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-20-9-5-8-16-15(19)12-10-14(18)17(11-12)13-6-3-2-4-7-13/h12-13H,2-11H2,1H3,(H,16,19).
What are the key properties of 1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4247765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).