N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide

C20H21N3O4 — CID 46421737

IUPACN-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C20H21N3O4/c1-4-26-19-10-15(11-21)5-8-18(19)27-12-20(25)23-16-6-7-17(13(2)9-16)22-14(3)24/h5-10H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySEASEYKNNDRLHJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.24
Rot. Bonds7

About N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide

N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide (PubChem CID 46421737) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
PubChem CID46421737
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C20H21N3O4/c1-4-26-19-10-15(11-21)5-8-18(19)27-12-20(25)23-16-6-7-17(13(2)9-16)22-14(3)24/h5-10H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySEASEYKNNDRLHJ-UHFFFAOYSA-N
XLogP3.24
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993139
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 7993287
2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9355977
3-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]-N-ethylbenzamide
CID 8561169
2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7992848
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 46417263
N-(2-chloro-3-pyridinyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7992846
2-(4-cyano-2-ethoxyphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 86925041
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide (CID 46421737) is N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide is CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The InChIKey is SEASEYKNNDRLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-26-19-10-15(11-21)5-8-18(19)27-12-20(25)23-16-6-7-17(13(2)9-16)22-14(3)24/h5-10H,4,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide has a molecular weight of 367.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 46421737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).