N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide

C32H40N2O3 — CID 139912002

IUPACN-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C32H40N2O3/c1-31(2)18-9-19-32(3,4)34(31)20-21-37-29-23-27(16-17-28(29)36-5)33-30(35)22-24-12-14-26(15-13-24)25-10-7-6-8-11-25/h6-8,10-17,23H,9,18-22H2,1-5H3,(H,33,35)
InChIKeyRQRBYDAXAJWMCE-UHFFFAOYSA-N
MW500.68 g/mol
LogP6.97
Rot. Bonds9

About N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide

N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide (PubChem CID 139912002) has the molecular formula C32H40N2O3 and a molecular weight of 500.68 g/mol. Its IUPAC name is N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide
PubChem CID139912002
Molecular FormulaC32H40N2O3
Molecular Weight500.68 g/mol
Exact Mass500.30
IUPAC NameN-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C32H40N2O3/c1-31(2)18-9-19-32(3,4)34(31)20-21-37-29-23-27(16-17-28(29)36-5)33-30(35)22-24-12-14-26(15-13-24)25-10-7-6-8-11-25/h6-8,10-17,23H,9,18-22H2,1-5H3,(H,33,35)
InChIKeyRQRBYDAXAJWMCE-UHFFFAOYSA-N
XLogP6.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide 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-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide (CID 139912002) is N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide is COc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OCCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is RQRBYDAXAJWMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O3/c1-31(2)18-9-19-32(3,4)34(31)20-21-37-29-23-27(16-17-28(29)36-5)33-30(35)22-24-12-14-26(15-13-24)25-10-7-6-8-11-25/h6-8,10-17,23H,9,18-22H2,1-5H3,(H,33,35).
What are the key properties of N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide?
N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 500.68 g/mol, XLogP of 6.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 139912002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).