N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide

C18H20ClNO4 — CID 7686438

IUPACN-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4/c1-12-8-15(22-2)18(16(9-12)23-3)24-11-17(21)20-10-13-4-6-14(19)7-5-13/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyUJKKFZVVUWSQGI-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.36
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide

N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide (PubChem CID 7686438) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
PubChem CID7686438
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4/c1-12-8-15(22-2)18(16(9-12)23-3)24-11-17(21)20-10-13-4-6-14(19)7-5-13/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyUJKKFZVVUWSQGI-UHFFFAOYSA-N
XLogP3.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18129838
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 31449562
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 5039239
4-[[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 134039174
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 7686490

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide (CID 7686438) is N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide is COc1cc(C)cc(OC)c1OCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The InChIKey is UJKKFZVVUWSQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-12-8-15(22-2)18(16(9-12)23-3)24-11-17(21)20-10-13-4-6-14(19)7-5-13/h4-9H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide has a molecular weight of 349.81 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 7686438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).