N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide

C22H32N2O4 — CID 14537157

IUPACN-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide
SMILESCOc1ccc(C2CNC(=O)C2)cc1OCCCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C22H32N2O4/c1-24(18-7-4-3-5-8-18)22(26)9-6-12-28-20-13-16(10-11-19(20)27-2)17-14-21(25)23-15-17/h10-11,13,17-18H,3-9,12,14-15H2,1-2H3,(H,23,25)
InChIKeyWMAWFWUZDHVSGI-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.25
Rot. Bonds8

About N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide

N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide (PubChem CID 14537157) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide
PubChem CID14537157
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC NameN-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide
SMILESCOc1ccc(C2CNC(=O)C2)cc1OCCCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C22H32N2O4/c1-24(18-7-4-3-5-8-18)22(26)9-6-12-28-20-13-16(10-11-19(20)27-2)17-14-21(25)23-15-17/h10-11,13,17-18H,3-9,12,14-15H2,1-2H3,(H,23,25)
InChIKeyWMAWFWUZDHVSGI-UHFFFAOYSA-N
XLogP3.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide?
The IUPAC name of N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide (CID 14537157) is N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide?
The canonical SMILES for N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide is COc1ccc(C2CNC(=O)C2)cc1OCCCC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide?
The InChIKey is WMAWFWUZDHVSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-24(18-7-4-3-5-8-18)22(26)9-6-12-28-20-13-16(10-11-19(20)27-2)17-14-21(25)23-15-17/h10-11,13,17-18H,3-9,12,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide?
N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide has a molecular weight of 388.51 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-methoxy-5-(5-oxopyrrolidin-3-yl)phenoxy]-N-methylbutanamide is sourced from PubChem (CID 14537157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).