N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide

C18H18N2O4 — CID 2578049

IUPACN-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H18N2O4/c1-12-7-15(22-2)18(16(8-12)23-3)24-11-17(21)20-14-6-4-5-13(9-14)10-19/h4-9H,11H2,1-3H3,(H,20,21)
InChIKeyGMJKBYZWOXJCEX-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.90
Rot. Bonds6

About N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide

N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide (PubChem CID 2578049) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
PubChem CID2578049
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H18N2O4/c1-12-7-15(22-2)18(16(8-12)23-3)24-11-17(21)20-14-6-4-5-13(9-14)10-19/h4-9H,11H2,1-3H3,(H,20,21)
InChIKeyGMJKBYZWOXJCEX-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

N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide
CID 4270480
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide
CID 7706398
N-(3-cyanophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042534
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 7686490
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113037188
2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
CID 86932038

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide (CID 2578049) is N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide is COc1cc(C)cc(OC)c1OCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The InChIKey is GMJKBYZWOXJCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-7-15(22-2)18(16(8-12)23-3)24-11-17(21)20-14-6-4-5-13(9-14)10-19/h4-9H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)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 N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 2578049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).