N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide

C18H17N3O3 — CID 134019347

IUPACN-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(C#N)cc2)c1C
InChIInChI=1S/C18H17N3O3/c1-12-16(20-13(2)22)4-3-5-17(12)21-18(23)11-24-15-8-6-14(10-19)7-9-15/h3-9H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKQENTCCWGOOYSF-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.84
Rot. Bonds5

About N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide

N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide (PubChem CID 134019347) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
PubChem CID134019347
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(C#N)cc2)c1C
InChIInChI=1S/C18H17N3O3/c1-12-16(20-13(2)22)4-3-5-17(12)21-18(23)11-24-15-8-6-14(10-19)7-9-15/h3-9H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKQENTCCWGOOYSF-UHFFFAOYSA-N
XLogP2.84
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 134019141
N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 134019200
N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 134019332
2-[4-(4-cyanophenyl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 7966721
N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300469
N-[2-methyl-3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 38300689
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 38228993
N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 43376508
2-(4-cyanophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 7961641
N-(2-benzylphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503196

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide (CID 134019347) is N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide is CC(=O)Nc1cccc(NC(=O)COc2ccc(C#N)cc2)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide?
The InChIKey is KQENTCCWGOOYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-16(20-13(2)22)4-3-5-17(12)21-18(23)11-24-15-8-6-14(10-19)7-9-15/h3-9H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide?
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 134019347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).