6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide

C22H27NO5 — CID 170503820

IUPAC6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide
SMILESCOc1ccccc1OCCCN(C)C(=O)c1c(C)cc(C2CCC2)oc1=O
InChIInChI=1S/C22H27NO5/c1-15-14-19(16-8-6-9-16)28-22(25)20(15)21(24)23(2)12-7-13-27-18-11-5-4-10-17(18)26-3/h4-5,10-11,14,16H,6-9,12-13H2,1-3H3
InChIKeyGELCTIJLYRRCSX-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.77
Rot. Bonds8

About 6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide

6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide (PubChem CID 170503820) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide
PubChem CID170503820
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide
SMILESCOc1ccccc1OCCCN(C)C(=O)c1c(C)cc(C2CCC2)oc1=O
InChIInChI=1S/C22H27NO5/c1-15-14-19(16-8-6-9-16)28-22(25)20(15)21(24)23(2)12-7-13-27-18-11-5-4-10-17(18)26-3/h4-5,10-11,14,16H,6-9,12-13H2,1-3H3
InChIKeyGELCTIJLYRRCSX-UHFFFAOYSA-N
XLogP3.77
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide 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 6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide (CID 170503820) is 6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide is COc1ccccc1OCCCN(C)C(=O)c1c(C)cc(C2CCC2)oc1=O.
What is the InChIKey of 6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide?
The InChIKey is GELCTIJLYRRCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-15-14-19(16-8-6-9-16)28-22(25)20(15)21(24)23(2)12-7-13-27-18-11-5-4-10-17(18)26-3/h4-5,10-11,14,16H,6-9,12-13H2,1-3H3.
What are the key properties of 6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide?
6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170503820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).