2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

C24H26ClN3O4 — CID 66525885

IUPAC2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(CNCCOc2ccccn2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H26ClN3O4/c1-17-6-8-19(9-7-17)28-22(29)16-32-24-20(25)13-18(14-21(24)30-2)15-26-11-12-31-23-5-3-4-10-27-23/h3-10,13-14,26H,11-12,15-16H2,1-2H3,(H,28,29)
InChIKeyWTQYCRKNJLYEIY-UHFFFAOYSA-N
MW455.94 g/mol
LogP4.24
Rot. Bonds11

About 2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 66525885) has the molecular formula C24H26ClN3O4 and a molecular weight of 455.94 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID66525885
Molecular FormulaC24H26ClN3O4
Molecular Weight455.94 g/mol
Exact Mass455.16
IUPAC Name2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(CNCCOc2ccccn2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H26ClN3O4/c1-17-6-8-19(9-7-17)28-22(29)16-32-24-20(25)13-18(14-21(24)30-2)15-26-11-12-31-23-5-3-4-10-27-23/h3-10,13-14,26H,11-12,15-16H2,1-2H3,(H,28,29)
InChIKeyWTQYCRKNJLYEIY-UHFFFAOYSA-N
XLogP4.24
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-chloro-2-methoxy-4-[(3-pyridin-2-yloxypropylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66530324
2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66526372
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526310
N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526705
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526025
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526093
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 66526190
3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 66526320
2-[2-chloro-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539439
2-[2-chloro-4-[(3,4-dichloroanilino)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539336
2-[2-chloro-6-methoxy-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539442

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 66525885) is 2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is COc1cc(CNCCOc2ccccn2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is WTQYCRKNJLYEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4/c1-17-6-8-19(9-7-17)28-22(29)16-32-24-20(25)13-18(14-21(24)30-2)15-26-11-12-31-23-5-3-4-10-27-23/h3-10,13-14,26H,11-12,15-16H2,1-2H3,(H,28,29).
What are the key properties of 2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 455.94 g/mol, XLogP of 4.24, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66525885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).