4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide

C36H48N2O6 — CID 59457265

IUPAC4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide
SMILESCOCCCC(=O)N(C)c1cc(C)ccc1CO[C@H]1CNCC[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1
InChIInChI=1S/C36H48N2O6/c1-27-12-13-29(33(23-27)38(2)36(39)11-7-20-40-3)26-44-35-24-37-19-18-32(35)28-14-16-31(17-15-28)43-22-8-21-42-25-30-9-5-6-10-34(30)41-4/h5-6,9-10,12-17,23,32,35,37H,7-8,11,18-22,24-26H2,1-4H3/t32-,35+/m1/s1
InChIKeyGONBPQCLKHEPFT-LDNVYYCDSA-N
MW604.79 g/mol
LogP6.04
Rot. Bonds17

About 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide

4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide (PubChem CID 59457265) has the molecular formula C36H48N2O6 and a molecular weight of 604.79 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide
PubChem CID59457265
Molecular FormulaC36H48N2O6
Molecular Weight604.79 g/mol
Exact Mass604.35
IUPAC Name4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide
SMILESCOCCCC(=O)N(C)c1cc(C)ccc1CO[C@H]1CNCC[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1
InChIInChI=1S/C36H48N2O6/c1-27-12-13-29(33(23-27)38(2)36(39)11-7-20-40-3)26-44-35-24-37-19-18-32(35)28-14-16-31(17-15-28)43-22-8-21-42-25-30-9-5-6-10-34(30)41-4/h5-6,9-10,12-17,23,32,35,37H,7-8,11,18-22,24-26H2,1-4H3/t32-,35+/m1/s1
InChIKeyGONBPQCLKHEPFT-LDNVYYCDSA-N
XLogP6.04
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.79
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-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 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide?
The IUPAC name of 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide (CID 59457265) is 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide.
What is the SMILES notation for 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide?
The canonical SMILES for 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide is COCCCC(=O)N(C)c1cc(C)ccc1CO[C@H]1CNCC[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1.
What is the InChIKey of 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide?
The InChIKey is GONBPQCLKHEPFT-LDNVYYCDSA-N. The full InChI is InChI=1S/C36H48N2O6/c1-27-12-13-29(33(23-27)38(2)36(39)11-7-20-40-3)26-44-35-24-37-19-18-32(35)28-14-16-31(17-15-28)43-22-8-21-42-25-30-9-5-6-10-34(30)41-4/h5-6,9-10,12-17,23,32,35,37H,7-8,11,18-22,24-26H2,1-4H3/t32-,35+/m1/s1.
What are the key properties of 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide?
4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide has a molecular weight of 604.79 g/mol, XLogP of 6.04, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide is sourced from PubChem (CID 59457265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).