2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide

C18H18N2O4 — CID 42085793

IUPAC2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
SMILESCOc1cc(C)c(NC(=O)COc2ccccc2C#N)cc1OC
InChIInChI=1S/C18H18N2O4/c1-12-8-16(22-2)17(23-3)9-14(12)20-18(21)11-24-15-7-5-4-6-13(15)10-19/h4-9H,11H2,1-3H3,(H,20,21)
InChIKeyOBODJYXWMQWBFU-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.90
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide

2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide (PubChem CID 42085793) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
PubChem CID42085793
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
SMILESCOc1cc(C)c(NC(=O)COc2ccccc2C#N)cc1OC
InChIInChI=1S/C18H18N2O4/c1-12-8-16(22-2)17(23-3)9-14(12)20-18(21)11-24-15-7-5-4-6-13(15)10-19/h4-9H,11H2,1-3H3,(H,20,21)
InChIKeyOBODJYXWMQWBFU-UHFFFAOYSA-N
XLogP2.90
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate
CID 7382502
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7751061
2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7382540
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
N-(4,5-dimethoxy-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 7923885
2-(2-cyanophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141494
2-(2-cyanophenoxy)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 31305221
2-(2-cyanophenoxy)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901734
2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 8874271
N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide
CID 7382555
2-(2-cyanophenoxy)-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812512

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide (CID 42085793) is 2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide is COc1cc(C)c(NC(=O)COc2ccccc2C#N)cc1OC.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide?
The InChIKey is OBODJYXWMQWBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-8-16(22-2)17(23-3)9-14(12)20-18(21)11-24-15-7-5-4-6-13(15)10-19/h4-9H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide?
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 42085793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).