2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide

C29H42N2O3 — CID 135177654

IUPAC2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide
SMILESCOCCOc1ccccc1CCN1CCC(CC(=O)N[C@@H](c2ccc(C)cc2)C(C)C)CC1
InChIInChI=1S/C29H42N2O3/c1-22(2)29(26-11-9-23(3)10-12-26)30-28(32)21-24-13-16-31(17-14-24)18-15-25-7-5-6-8-27(25)34-20-19-33-4/h5-12,22,24,29H,13-21H2,1-4H3,(H,30,32)/t29-/m1/s1
InChIKeyHLUVKTXYTYPQSJ-GDLZYMKVSA-N
MW466.67 g/mol
LogP5.18
Rot. Bonds12

About 2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide

2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide (PubChem CID 135177654) has the molecular formula C29H42N2O3 and a molecular weight of 466.67 g/mol. Its IUPAC name is 2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide
PubChem CID135177654
Molecular FormulaC29H42N2O3
Molecular Weight466.67 g/mol
Exact Mass466.32
IUPAC Name2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide
SMILESCOCCOc1ccccc1CCN1CCC(CC(=O)N[C@@H](c2ccc(C)cc2)C(C)C)CC1
InChIInChI=1S/C29H42N2O3/c1-22(2)29(26-11-9-23(3)10-12-26)30-28(32)21-24-13-16-31(17-14-24)18-15-25-7-5-6-8-27(25)34-20-19-33-4/h5-12,22,24,29H,13-21H2,1-4H3,(H,30,32)/t29-/m1/s1
InChIKeyHLUVKTXYTYPQSJ-GDLZYMKVSA-N
XLogP5.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide (CID 135177654) is 2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide is COCCOc1ccccc1CCN1CCC(CC(=O)N[C@@H](c2ccc(C)cc2)C(C)C)CC1.
What is the InChIKey of 2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is HLUVKTXYTYPQSJ-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H42N2O3/c1-22(2)29(26-11-9-23(3)10-12-26)30-28(32)21-24-13-16-31(17-14-24)18-15-25-7-5-6-8-27(25)34-20-19-33-4/h5-12,22,24,29H,13-21H2,1-4H3,(H,30,32)/t29-/m1/s1.
What are the key properties of 2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide?
2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 466.67 g/mol, XLogP of 5.18, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 135177654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).