N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide

C22H26N2O3 — CID 22687035

IUPACN-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide
SMILESCOc1ccc(Oc2ccc(CCNC(=O)CC#N)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)19-15-18(26-4)9-10-20(19)27-17-7-5-16(6-8-17)12-14-24-21(25)11-13-23/h5-10,15H,11-12,14H2,1-4H3,(H,24,25)
InChIKeyGFQNJJNOAZCDLJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.36
Rot. Bonds7

About N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide

N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide (PubChem CID 22687035) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide
PubChem CID22687035
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide
SMILESCOc1ccc(Oc2ccc(CCNC(=O)CC#N)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)19-15-18(26-4)9-10-20(19)27-17-7-5-16(6-8-17)12-14-24-21(25)11-13-23/h5-10,15H,11-12,14H2,1-4H3,(H,24,25)
InChIKeyGFQNJJNOAZCDLJ-UHFFFAOYSA-N
XLogP4.36
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide
CID 22684691
3-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]propanoic acid
CID 20989882
N-[[4-(2-tert-butyl-5-methylphenoxy)phenyl]methyl]-2-cyanoacetamide
CID 22682093
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-cyanoacetamide
CID 115173251
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
CID 20984709
2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
CID 22686514
2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
CID 22685010
2-cyano-N-[2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22684436
2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7658830
2-cyano-N-[2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20986864
2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide?
The IUPAC name of N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide (CID 22687035) is N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide.
What is the SMILES notation for N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide?
The canonical SMILES for N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide is COc1ccc(Oc2ccc(CCNC(=O)CC#N)cc2)c(C(C)(C)C)c1.
What is the InChIKey of N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide?
The InChIKey is GFQNJJNOAZCDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)19-15-18(26-4)9-10-20(19)27-17-7-5-16(6-8-17)12-14-24-21(25)11-13-23/h5-10,15H,11-12,14H2,1-4H3,(H,24,25).
What are the key properties of N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide?
N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide has a molecular weight of 366.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide is sourced from PubChem (CID 22687035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).