N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide

C24H21N3O4 — CID 9019861

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H21N3O4/c1-16(28)26-20-9-12-23(30-2)22(13-20)27-24(29)15-31-21-10-7-19(8-11-21)18-5-3-17(14-25)4-6-18/h3-13H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyCZWKNUHGRFUGNI-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.21
Rot. Bonds7

About N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide (PubChem CID 9019861) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
PubChem CID9019861
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H21N3O4/c1-16(28)26-20-9-12-23(30-2)22(13-20)27-24(29)15-31-21-10-7-19(8-11-21)18-5-3-17(14-25)4-6-18/h3-13H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyCZWKNUHGRFUGNI-UHFFFAOYSA-N
XLogP4.21
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(5-acetamido-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510112
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 46490267
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
2-(2-chloro-4-cyanophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 8975756
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 1034299
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
4-methoxy-N-[2-methoxy-5-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46323188
N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648202
N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16564447

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide (CID 9019861) is N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The InChIKey is CZWKNUHGRFUGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-16(28)26-20-9-12-23(30-2)22(13-20)27-24(29)15-31-21-10-7-19(8-11-21)18-5-3-17(14-25)4-6-18/h3-13H,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide has a molecular weight of 415.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide is sourced from PubChem (CID 9019861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).